SCHEMBL2761831

SCHEMBL2761831

CCCCCCCCCCCCC[C](C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.59
▸ CES1 P23141 3/20 0.59
▸ PTGS2 P35354 3/20 0.50
▸ NAAA Q02083 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL1581395 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL19642160 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL11494540 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL4453742 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL18045476 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL815938 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL5968483 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL816636 0.98 CES2 (0.58) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL820442 0.91 PTGS2 (0.59) CES2CES1PTGS2NAAA
SCHEMBL3281895 0.84 L3MBTL1 (0.44) CES2CES1PTGS2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY SYMRISE AG (DE) 2024-07-18 — — US disclosed
US-20240216248-A1 MICROBIAL GLYCOLIPIDS ANALYTICON DISCOVERY GMBH (DE) 2024-07-04 — — US disclosed
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 — — EP disclosed
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL SYMRISE AG (DE) 2024-05-30 — — US disclosed
WO-2024110023-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2024-05-30 — — WO disclosed
WO-2024110515-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2024-05-30 — — WO disclosed
WO-2024104546-A1 A BLEND OF EMOLLIENTS SYMRISE AG (DE) 2024-05-23 — — WO disclosed
WO-2024104625-A1 A BLEND OF EMOLLIENTS SYMRISE AG (DE) 2024-05-23 — — WO disclosed
US-20240122834-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION SYMRISE AG (DE) 2024-04-18 — — US disclosed
WO-2024078679-A1 A FRAGRANCE MIXTURE (VI) SYMRISE AG (DE) 2024-04-18 — — WO disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 — — US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 — — US disclosed
WO-2015102784-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS AND METHODS FOR USING THE SAME THE DIAL CORPORATION (US) 2015-07-09 — — WO disclosed
US-20150182428-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS AND METHODS FOR USING THE SAME THE DIAL CORPORATION 2015-07-02 — — US disclosed
EP-2797572-A1 ANTIPERSPIRANT COMPOSITIONS AND METHODS FOR PREPARING ANTIPERSPIRANT COMPOSITIONS The Dial Corporation (US) 2014-11-05 — — EP disclosed
US-20130202543-A1 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2013-08-08 — — US disclosed
US-20130171086-A1 ANTIPERSPIRANT COMPOSITIONS AND METHODS FOR PREPARING ANTIPERSPIRANT COMPOSITIONS THE DIAL CORPORATION (US) 2013-07-04 — — US disclosed
WO-2013101997-A1 ANTIPERSPIRANT COMPOSITIONS AND METHODS FOR PREPARING ANTIPERSPIRANT COMPOSITIONS THE DIAL CORPORATION (US) 2013-07-04 — — WO disclosed
EP-2579950-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT Symrise AG (DE) 2013-04-17 — — EP disclosed
WO-2010149798-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2010-12-29 — — 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 (7 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-20240122834-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION MC1R, OR51E2, TYR CES2 2839/4885CES1 4183/4885PTGS2 740/4885
US-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 CES2 1447/4885CES1 914/4885PTGS2 763/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 CES2 785/4885CES1 2785/4885PTGS2 3661/4885
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY ZC3HAV1, SAMHD1, ZC3HAV1L CES2 802/4885CES1 461/4885PTGS2 3301/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D CES2 549/4885CES1 1754/4885PTGS2 722/4885
US-20130202543-A1 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT CUTA, MCOLN2, MCOLN3 CES2 210/4885CES1 1326/4885PTGS2 335/4885
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL IPO5, OR51E2, FDFT1 CES2 1266/4885CES1 3014/4885PTGS2 1766/4885

“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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