SCHEMBL2399528

SCHEMBL2399528

CCCCCCN(/C=C/C=C(/C(=O)OCC)S(=O)(=O)c1ccccc1)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ PTGES O14684 2/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 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
SCHEMBL2399530 1.00 ALDH1A1 (0.41) ALDH1A1LMNAGAAHPGDSMN1; SMN2
SCHEMBL14354774 0.96 ALDH1A1 (0.42) ALDH1A1LMNAGAAHPGDSMN1; SMN2
SCHEMBL12758256 0.94 TDP1 (0.36) ALDH1A1LMNAGAAHPGDNPC1
SCHEMBL12268341 0.93 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL12758222 0.93 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9889301 0.93 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9889202 0.90 TSHR (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL13556968 0.88 TDP1 (0.35) ALDH1A1LMNAGAAHPGDSMN1; SMN2
SCHEMBL9889185 0.88 KDM4E (0.40) ALDH1A1LMNAGAAHPGDSMN1; SMN2
SCHEMBL4547548 0.86 ALDH1A1 (0.45) ALDH1A1LMNAGAAHPGDSMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 — — US claimed
US-8025867-B2 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2011-09-27 — — US claimed
US-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2008-12-11 — — US claimed
EP-1888009-A1 METHOD FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE USING A MEROCYANINE SULPHONE DERIVATIVE; PHOTOPROTECTIVE COSMETIC COMPOSITIONS CONTAINING SAID COMBINATION L'Oréal (FR) 2008-02-20 — — EP claimed
WO-2006125676-A1 METHOD FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE USING A MEROCYANINE SULPHONE DERIVATIVE; PHOTOPROTECTIVE COSMETIC COMPOSITIONS CONTAINING SAID COMBINATION L'OREAL (FR) 2006-11-30 — — WO claimed
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 — — US disclosed
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 — — US disclosed
US-8025867-B2 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2011-09-27 — — US disclosed
US-8025867-B2 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2011-09-27 — — US disclosed
US-8025867-B2 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2011-09-27 — — US disclosed
WO-2011054387-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2011-05-12 — — WO disclosed
US-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2008-12-11 — — US disclosed
US-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2008-12-11 — — US disclosed
US-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2008-12-11 — — US disclosed
EP-1888009-A1 METHOD FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE USING A MEROCYANINE SULPHONE DERIVATIVE; PHOTOPROTECTIVE COSMETIC COMPOSITIONS CONTAINING SAID COMBINATION L'Oréal (FR) 2008-02-20 — — EP disclosed
WO-2006125676-A1 METHOD FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE USING A MEROCYANINE SULPHONE DERIVATIVE; PHOTOPROTECTIVE COSMETIC COMPOSITIONS CONTAINING SAID COMBINATION L'OREAL (FR) 2006-11-30 — — WO 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 (2 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-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT PYCR1, TYR, PAH ALDH1A1 661/4885LMNA 1104/4885GAA 2338/4885
US-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds DDT, DSG1, DSC1 ALDH1A1 809/4885LMNA 1501/4885GAA 1865/4885

“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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