SCHEMBL630456

SCHEMBL630456

CCCCCCCC(C)(C)OC(=O)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 3/20 0.55
TSHR P16473 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
PDE4D Q08499 1/20 0.55
MAOA P21397 2/20 0.49
CYP2D6 P10635 3/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
GAA P10253 1/20 0.48
DRD3 P35462 1/20 0.48
SCN1A P35498 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
2-Methylbutanal SCHEMBL6024917 0.88 MAPT (0.48) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL23151968 0.87 ESR1 (0.54) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL18334312 0.85 CYP2D6 (0.49) ALDH1A1LMNACYP1A2TSHRCYP2C19
SCHEMBL7142990 0.83 NPC1 (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL23486834 0.81 CYP1A2 (0.58) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL6024270 0.81 LMNA (0.41) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL6024273 0.81 LMNA (0.41) MAPTNPC1RAB9AALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL11639381 0.81 CYP1A2 (0.56) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL25645511 0.80 NPC1 (0.43) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL19288474 0.80 LMNA (0.50) MAPTNPC1ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129204-B2 Perfumes QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-31 US claimed
EP-1286651-B1 USE OF AMINOBENZOIC ACIDS IN COMPOSITIONS WITH PERFUMES QUEST INT SERV BV (NL) 2006-08-02 EP claimed
US-20030199422-A1 Perfumes QUEST INTERNATIONAL SERVICES B.V. (NL) 2003-10-23 US claimed
EP-1286651-A1 IMPROVEMENTS IN OR RELATING TO PERFUMES QUEST INTERNATIONAL NEDERLAND BV (NL) 2003-03-05 EP claimed
WO-2001093823-A1 IMPROVEMENTS IN OR RELATING TO PERFUMES QUEST INTERNATIONAL B.V. (NL) 2001-12-13 WO claimed
US-11033481-B2 Silicone resin, making method, and cosmetics SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-15 US disclosed
US-10765619-B2 Silicone resin, making method, and cosmetics SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-09-08 US disclosed
US-20200078289-A1 SILICONE RESIN, MAKING METHOD, AND COSMETICS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-12 US disclosed
EP-2505602-B1 Organopolysiloxane and cosmetic containing it SHINETSU CHEMICAL CO (JP) 2017-05-03 EP disclosed
US-8697042-B2 Organopolysiloxane and cosmetic containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-15 US disclosed
EP-2103301-B1 Polyglycerin-modified silicone and a cosmetic comprising the same SHINETSU CHEMICAL CO (JP) 2013-02-13 EP disclosed
US-20120252757-A1 ORGANOPOLYSILOXANE AND COSMETIC CONTAINING IT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-04 US disclosed
US-20070196291-A1 Cosmetic comprising a silicone polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1736138-A1 COSMETIC PREPARATION CONTAINING SILICONE POLYMER Shin-Etsu Chemical Company, Ltd. (JP) 2006-12-27 EP disclosed
US-7129204-B2 Perfumes QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-31 US disclosed
EP-1286651-B1 USE OF AMINOBENZOIC ACIDS IN COMPOSITIONS WITH PERFUMES QUEST INT SERV BV (NL) 2006-08-02 EP disclosed
EP-1424373-A2 Hydrophilized powder and a composition comprising the same Shin-Etsu Chemical Company, Ltd. (JP) 2004-06-02 EP disclosed
US-20030199422-A1 Perfumes QUEST INTERNATIONAL SERVICES B.V. (NL) 2003-10-23 US disclosed
EP-1286651-A1 IMPROVEMENTS IN OR RELATING TO PERFUMES QUEST INTERNATIONAL NEDERLAND BV (NL) 2003-03-05 EP disclosed
WO-2001093823-A1 IMPROVEMENTS IN OR RELATING TO PERFUMES QUEST INTERNATIONAL B.V. (NL) 2001-12-13 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 (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-20070196291-A1 Cosmetic comprising a silicone polymer PRMT7, KAT7, SRRM2 MAPT 4525/4885NPC1 3963/4885RAB9A 4319/4885
US-20120252757-A1 ORGANOPOLYSILOXANE AND COSMETIC CONTAINING IT RAD54L, OR10J3, H1-0 MAPT 4803/4885NPC1 3307/4885RAB9A 3537/4885
US-20030199422-A1 Perfumes PAH, PIR, TRPA1 MAPT 1098/4885NPC1 3760/4885RAB9A 4374/4885

“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.