SCHEMBL10021371

SCHEMBL10021371

COc1ccc(-c2ccc(C(O)C3(Cc4ccccc4)NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP8 P22894 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.40
ACP3 P15309 1/20 0.39
MMP13 P45452 3/20 0.38
CYP3A4 P08684 1/20 0.38
GRIN2B Q13224 1/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
GPR88 Q9GZN0 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11933939 0.87 ADAM17 (0.48) ALDH1A1MMP2MMP9MMP8SMN1; SMN2
SCHEMBL6799084 0.84 SYK (0.40) ALDH1A1TSHRMMP2MMP9MMP8
SCHEMBL6791637 0.81 ADAM17 (0.50) MMP2MMP9MMP8ACP3PPARG
SCHEMBL6787210 0.81 CYP3A4 (0.39) ALDH1A1TSHRMMP2MMP9MMP8
SCHEMBL6841024 0.81 MMP2 (0.43) ALDH1A1TSHRMMP2MMP9MMP8
SCHEMBL6839920 0.77 MMP2 (0.36) ALDH1A1MMP2MMP9MMP8SMN1; SMN2
SCHEMBL6842461 0.76 MMP2 (0.40) ALDH1A1MMP2MMP9MMP8ACP3
SCHEMBL16131277 0.76 ALDH1A1 (0.40) ALDH1A1TSHRCNR2ACP3CYP3A4
SCHEMBL6793983 0.75 MMP2 (0.45) ALDH1A1MMP2MMP9MMP8SMN1; SMN2
SCHEMBL6799515 0.75 MMP2 (0.39) ALDH1A1MMP2MMP9MMP8ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2012-07-05 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 US 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-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 ALDH1A1 835/4885TSHR 2136/4885MMP2 773/4885
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 ALDH1A1 835/4885TSHR 2136/4885MMP2 773/4885
US-20100199361-A1 Role of Proteoglycans in Drug Dependence OGFR, CSGALNACT1, OPRL1 ALDH1A1 835/4885TSHR 2136/4885MMP2 773/4885

“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.