SCHEMBL12356963

SCHEMBL12356963

CCCOc1ccc(Cl)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CSNK2A1 P68400 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 3/20 0.43
GCGR P47871 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 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
SCHEMBL11890402 0.87 GAA (0.52) MAPTL3MBTL1HTR2CHTR2BKMT2A
SCHEMBL16959816 0.87 MAPT (0.46) MAPTPKML3MBTL1HTR2CHTR2B
SCHEMBL11334122 0.85 HPGD (0.43) MAPTL3MBTL1KDM4EKMT2AHPGD
SCHEMBL278545 0.81 KDM1A (0.54) MAPTGAAGCGRALDH1A1
SCHEMBL9945954 0.81 ALDH1A1 (0.48) MAPTL3MBTL1HTR2BKDM4EKMT2A
SCHEMBL12889916 0.81 ALDH1A1 (0.42) MAPTL3MBTL1CSNK2A1KDM4EKMT2A
SCHEMBL16958642 0.80 MAPT (0.43) MAPTPKML3MBTL1HTR2CHTR2B
SCHEMBL3781671 0.80 MAPT (0.54) MAPTPKML3MBTL1HTR2CHTR2B
SCHEMBL23901711 0.79 ALDH1A1 (0.41) MAPTL3MBTL1CSNK2A1KDM4EKMT2A
SCHEMBL9945953 0.79 HTR2A (0.46) MAPTL3MBTL1HTR2CHTR2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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 (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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 MAPT 4554/4885PKM 2472/4885L3MBTL1 4596/4885

“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.