SCHEMBL3897985

SCHEMBL3897985

Cc1cc(CNC(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.62
EPHX2 P34913 1/20 0.48
HDAC1 Q13547 1/20 0.47
NAMPT P43490 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.43
KDM4A O75164 1/20 0.43
TSHR P16473 2/20 0.42
GRM2 Q14416 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLS O94925 1/20 0.42
BRD4 O60885 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 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
SCHEMBL31019193 1.00 NR1H4 (0.62) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL14979282 0.90 NR1H4 (0.50) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL30901987 0.90 NR1H4 (0.50) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL1205128 0.89 NR1H4 (0.48) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL30910306 0.89 NR1H4 (0.48) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL30964980 0.88 NR1H4 (0.48) NR1H4HDAC1NAMPTL3MBTL1GAA
SCHEMBL1244785 0.86 NR1H4 (0.61) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL25256049 0.85 NR1H4 (0.45) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL1018437 0.85 NR1H4 (0.62) NR1H4EPHX2HDAC1NAMPTL3MBTL1
SCHEMBL3657504 0.85 NR1H4 (0.45) NR1H4EPHX2HDAC1NAMPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 NR1H4 432/4885EPHX2 3120/4885HDAC1 90/4885

“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.