SCHEMBL578085

SCHEMBL578085

CCCCCCCCc1c(C(=O)O)cc(C)c(N)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.48
KAT8 Q9H7Z6 2/20 0.46
PPARA Q07869 2/20 0.46
KDM4E B2RXH2 1/20 0.44
PPARG P37231 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41

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
SCHEMBL30061109 1.00 RARB (0.48) RARBKAT8PPARAKDM4EPPARG
SCHEMBL7744473 0.98 RARB (0.46) RARBKAT8PPARAKDM4EPPARG
Ammonia Solution, Strong SCHEMBL27732570 0.88 RARB (0.50) RARBKAT8PPARAPPARGHCAR2
SCHEMBL7178039 0.84 CNR2 (0.40) RARBPPARAKDM4EPPARG
SCHEMBL27963992 0.83 RARB (0.49) RARBKAT8PPARAPPARGHCAR2
SCHEMBL2536655 0.82 KDM4E (0.50) KDM4EPPARGHCAR2GABRPGABRD
SCHEMBL27677228 0.81 RARB (0.47) RARBKAT8PPARAPPARGHCAR2
SCHEMBL8938795 0.79 KDM4E (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2535736 0.78 KDM4E (0.38) RARBPPARAKDM4EGABRPGABRD
SCHEMBL14645997 0.77 ALDH1A1 (0.43) RARBKAT8PPARAKDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983754-A Method for the manufacture of dimethyl, octyl - or pentyl - para-aminobenzoic acid BROMINE COMPOUNDS LTD. (IL) 1991-01-08 US claimed
EP-2921518-B1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME SHINETSU CHEMICAL CO (JP) 2019-06-19 EP disclosed
US-9890252-B2 Silicone compound and cosmetic containing thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-13 US disclosed
EP-3168255-B1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF SHINETSU CHEMICAL CO (JP) 2018-01-31 EP disclosed
US-20170137574-A1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-18 US disclosed
EP-3168255-A1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 2017-05-17 EP disclosed
EP-2921518-A1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME Shin-Etsu Chemical Co., Ltd. (JP) 2015-09-23 EP disclosed
EP-2280040-B1 Organopolysiloxane having amide group, and cosmetic material containing same SHINETSU CHEMICAL CO (JP) 2015-04-15 EP disclosed
US-8912354-B2 Organopolysiloxane and cosmetic containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-16 US disclosed
US-8398964-B2 Organopolysiloxane having amide group, and cosmetic material containing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-19 US disclosed
EP-2418236-B1 Novel organopolysiloxane and cosmetic containing the same SHINETSU CHEMICAL CO (JP) 2012-11-14 EP disclosed
US-20120040931-A1 NOVEL ORGANOPOLYSILOXANE AND COSMETIC CONTAINING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-16 US disclosed
EP-2418236-A1 Novel organopolysiloxane and cosmetic containing the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-15 EP disclosed
US-20110027213-A1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-03 US disclosed
EP-2280040-A1 Organopolysiloxane having amide group, and cosmetic material containing same Shin-Etsu Chemical Co., Ltd. (JP) 2011-02-02 EP disclosed
EP-1291376-B1 SILICONE POLYMER, SILICONE COMPOSITION, AND COSMETIC PREPARATION CONTAINING THE SAME SHINETSU CHEMICAL CO (JP) 2009-12-09 EP disclosed
EP-1291377-B1 SILICONE COMPOUND AND COSMETIC PREPARATION SHINETSU CHEMICAL CO (JP) 2007-03-28 EP disclosed
US-6984390-B2 Silicone compound and cosmetic preparation SHIN-ETSU CHEMICAL CO. LTD. (JP) 2006-01-10 US disclosed
EP-1291376-A1 SILICONE POLYMER, SILICONE COMPOSITION, AND COSMETIC PREPARATION CONTAINING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 EP disclosed
EP-1291377-A1 SILICONE COMPOUND AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 EP 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 (3 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-20170137574-A1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF CCND2, MRGPRX1, MRGPRX2 RARB 908/4885KAT8 2602/4885PPARA 4286/4885
US-20120040931-A1 NOVEL ORGANOPOLYSILOXANE AND COSMETIC CONTAINING THE SAME F12, FUCA1, H1-0 RARB 1545/4885KAT8 851/4885PPARA 2871/4885
US-20110027213-A1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME HRH3, H1-3, HRH1 RARB 669/4885KAT8 228/4885PPARA 2176/4885

“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.