SCHEMBL4933475

SCHEMBL4933475

COc1ccc(-n2nc(C(=O)O)c3c2C2CCC3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
MAPT P10636 2/20 0.44
ADORA1 P30542 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
KCNJ6 P48051 2/20 0.42
KCNJ3 P48549 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RPA1 P27694 1/20 0.42
UGCG Q16739 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
KCNJ5 P48544 1/20 0.39

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
SCHEMBL4929226 0.86 ALDH1A1 (0.48) L3MBTL1KCNJ6KCNJ3ALDH1A1CNR1
SCHEMBL4933169 0.85 SMN1; SMN2 (0.52) TP53CCNA2CDK2CCNA1MAPT
SCHEMBL1431678 0.84 KEAP1 (0.49) MAPTADORA1ALDH1A1CNR1CNR2
SCHEMBL4936268 0.84 CNR2 (0.60) TP53CCNA2CDK2CCNA1MAPT
SCHEMBL4934207 0.84 CYP1A2 (0.43) MAPTL3MBTL1KCNJ6KCNJ3RPA1
SCHEMBL4927251 0.84 PPARA (0.41) TP53MAPTKCNJ6KCNJ3ALDH1A1
SCHEMBL4934205 0.84 CYP1A2 (0.43) MAPTL3MBTL1KCNJ6KCNJ3RPA1
SCHEMBL1431911 0.84 PPARA (0.41) TP53MAPTKCNJ6KCNJ3ALDH1A1
SCHEMBL1432255 0.84 CYP1A2 (0.43) MAPTL3MBTL1KCNJ6KCNJ3RPA1
SCHEMBL4932426 0.84 PPARA (0.41) TP53MAPTKCNJ6KCNJ3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 TP53 4816/4885CCNA2 4087/4885CDK2 2270/4885

“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.