SCHEMBL4087478

SCHEMBL4087478

CCCCC(=O)Nc1ccccc1[C]=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
CETP P11597 2/20 0.61
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SOAT1 P35610 2/20 0.54
MAPK1 P28482 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49

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
SCHEMBL6539823 0.90 MAPK1 (0.63) TSHRCETPMAPK1HTTALDH1A1
SCHEMBL4883127 0.87 TSHR (0.62) TSHRCETPPOLBATML3MBTL1
SCHEMBL9372218 0.86 TSHR (1.00) TSHRCETPPOLBATML3MBTL1
SCHEMBL4092413 0.83 TSHR (0.53) TSHRL3MBTL1MAPK1ALDH1A1
SCHEMBL30738431 0.79 HDAC3 (0.73) TSHRCETPPOLBATML3MBTL1
SCHEMBL6694932 0.79 HDAC3 (0.73) TSHRCETPPOLBATML3MBTL1
SCHEMBL26645943 0.79 HDAC3 (0.77) TSHRCETPPOLBATML3MBTL1
SCHEMBL13263765 0.79 CETP (0.67) TSHRCETPPOLBATML3MBTL1
SCHEMBL5878480 0.78 CETP (0.77) TSHRCETPSOAT1MAPK1HDAC3
SCHEMBL9395051 0.78 CETP (0.77) TSHRCETPSOAT1MAPK1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445516-B2 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-21 US disclosed
US-20090187025-A1 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-23 US disclosed
CN-100473383-C Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMA CO LTD (JP) 2009-04-01 CN disclosed
EP-1708705-B1 USE OF PIPERIDINE DERIVATIVES FOR PROMOTING ANGIOGENESIS OTSUKA PHARMA CO LTD (JP) 2009-02-18 EP disclosed
CN-1905877-A Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMA CO LTD (JP) 2007-01-31 CN disclosed
EP-1708705-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING ANGIOGENESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-11 EP disclosed
WO-2005072734-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING ANGIOGENESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 WO disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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 (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-20090187025-A1 Pharmaceutical composition for promoting angiogenesis FLT1, FLT4, KDR TSHR 4330/4885CETP 1881/4885POLB 2960/4885

“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.