SCHEMBL12101253

SCHEMBL12101253

CCCCC(CC)COC(=O)/C(C#N)=C\C=C\N(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA2 P00918 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ GAA P10253 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2398261 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL2398264 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL18698664 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12101263 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14768429 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14095062 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12292855 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL5272544 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12668069 0.83 TSHR (0.48) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12667157 0.82 TSHR (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045409-B2 Composition comprising a water-insoluble solid organic UV-screening agent and a compound capable of establishing hydrogen bonds L'OREAL (FR) 2021-06-29 — — US disclosed
EP-2683351-B1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2019-10-16 — — EP disclosed
EP-3019143-B1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS OREAL (FR) 2019-03-13 — — EP disclosed
US-9656103-B2 Light protecting-effective cosmetic or dermatological preparations BASF SE (DE) 2017-05-23 — — US disclosed
US-9656103-B2 Light protecting-effective cosmetic or dermatological preparations BASF SE (DE) 2017-05-23 — — US disclosed
US-20160151267-A1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS L'OREAL (FR) 2016-06-02 — — US disclosed
US-20160151267-A1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS L'OREAL (FR) 2016-06-02 — — US disclosed
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 — — US disclosed
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 — — US disclosed
US-20150284330-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT OREAL (FR) 2015-10-08 — — US disclosed
US-20130064871-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2013-03-14 — — US disclosed
WO-2012119860-A1 COSMETIC COMPOSITION CONTAINING A DIBENZOYLMETHANE DERIVATIVE AND A MONOESTER-MONOAMIDE COMPOUND OF METHYLSUCCINIC ACID; PROCESS FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE L'OREAL (FR) 2012-09-13 — — WO disclosed
WO-2012119861-A2 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME L'OREAL (FR) 2012-09-13 — — WO disclosed
EP-1549283-B1 Cosmetic preparation comprising merocyanine derivatives BASF SE (DE) 2012-09-12 — — EP disclosed
WO-2011113719-A2 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2011-09-22 — — WO disclosed
EP-1768644-B1 LIGHT PROTECTING-EFFECTIVE COSMETIC OR DERMATOLOGICAL PREPARATIONS CIBA HOLDING INC (CH) 2009-02-18 — — EP disclosed
US-7407648-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 — — US disclosed
US-7407648-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 — — US disclosed
US-20080075746-A1 Dispersing insoluble or sparingly soluble micronized substance in oil or water phase; adding soluble ultraviolet radiation filter that is not a cosmetic UV absorber; remarkable increase in (SPF) sun protection factor; sunscreen agents CIBA SPECIALTY CHEMICALS CORPORATION 2008-03-27 — — US disclosed
US-20080075746-A1 Dispersing insoluble or sparingly soluble micronized substance in oil or water phase; adding soluble ultraviolet radiation filter that is not a cosmetic UV absorber; remarkable increase in (SPF) sun protection factor; sunscreen agents CIBA SPECIALTY CHEMICALS CORPORATION 2008-03-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130064871-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT DDT, PCCA, DDC ALDH1A1 1102/4885LMNA 911/4885MAPK1 3289/4885
US-20160151267-A1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS F2, F12, C1S ALDH1A1 1323/4885LMNA 1274/4885MAPK1 1719/4885
US-11045409-B2 Composition comprising a water-insoluble solid organic UV-screening agent and a compound capable of establishing hydrogen bonds F2, F12, C1S ALDH1A1 1323/4885LMNA 1274/4885MAPK1 1719/4885
US-20080075746-A1 Dispersing insoluble or sparingly soluble micronized substance in oil or water phase; adding soluble ultraviolet radiation filter that is not a cosmetic UV absorber; remarkable increase in (SPF) sun protection factor; sunscreen agents CUTA, MITF, MIF ALDH1A1 1973/4885LMNA 1779/4885MAPK1 3452/4885
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, FADS2, SCD ALDH1A1 390/4885LMNA 2770/4885MAPK1 2124/4885
US-20150284330-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT DDT, PCCA, DDC ALDH1A1 1102/4885LMNA 911/4885MAPK1 3289/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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