SCHEMBL5207536

SCHEMBL5207536

CCOC(=O)CCCCCCCC(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DGKA P23743 1/20 0.47
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
LPAR6 P43657 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR4 Q99677 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44

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
SCHEMBL27722480 1.00 MAPT (0.58) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL7561253 1.00 MAPT (0.58) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL3289218 1.00 MAPT (0.58) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL8198615 0.98 MAPT (0.55) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL2112335 0.92 CYP1A2 (0.55) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL2915704 0.92 CYP1A2 (0.55) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL2112334 0.92 CYP1A2 (0.55) MAPTCYP1A2KMT2AALDH1A1CYP3A4
1,3-Butanediol SCHEMBL15876426 0.89 MAPT (0.54) MAPTCYP1A2KMT2AALDH1A1CYP3A4
1,3-Butanediol SCHEMBL3421379 0.87 MAPT (0.53) MAPTCYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL17000165 0.86 CYP1A2 (0.53) MAPTCYP1A2KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
US-20030130340-A1 Novel benzothiophene derivatives DAIICHI PHARMACEUTICAL CO. LTD. 2003-07-10 US disclosed
CN-1429224-A Novel benzothiophene derivatives DAIICHI SEIYAKU CO (JP) 2003-07-09 CN disclosed
EP-0767172-B1 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 2003-03-26 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
CN-1282326-A Anilide derivative, process for producing the same, and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
US-5705499-A VIRICIDES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-01-06 US disclosed
EP-0767172-A1 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1997-04-09 EP disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0187977-B1 TETRAHYDROQUINOLINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND ANTI-PEPTIC ULCER COMPOSITIONS CONTAING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-29 EP disclosed
US-4880815-A GASTRIC JUICE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
US-4738970-A Benzimidazolyl-thio-tetrahydroquinolines and anti-peptic ulcer compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
EP-0187977-A1 Tetrahydroquinoline derivatives, process for preparing the same and anti-peptic ulcer compositions containg the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 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 (1 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-20030130340-A1 Novel benzothiophene derivatives CYP17A1, CYP21A2, HSD17B1 MAPT 2409/4885CYP1A2 59/4885KMT2A 775/4885

“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.