SCHEMBL2319938

SCHEMBL2319938

CCC(c1cccc(O)c1)[PH](=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
SLC22A1 O15245 1/20 0.45
HIF1A Q16665 4/20 0.45
LMNA P02545 4/20 0.45
GALR3 O60755 1/20 0.45
ADRB1 P08588 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL21629193 0.82 ADRB2 (0.35) OPRM1HIF1ALMNAADRA1ASLC6A3
SCHEMBL11033981 0.80 LMNA (0.48) LMNATSHRKDM4EMIFALDH1A1
SCHEMBL2318803 0.79 L3MBTL1 (0.49) KDM4E
SCHEMBL28529982 0.78 LMNA (0.47) LMNATSHRKDM4EMIFALDH1A1
SCHEMBL633773 0.74 ADRB1 (0.56) OPRM1SLC22A1HIF1ALMNAGALR3
SCHEMBL15157484 0.74 ADRB1 (0.56) OPRM1SLC22A1HIF1ALMNAGALR3
SCHEMBL5014485 0.74 OPRM1 (0.67) OPRM1SLC22A1HIF1ALMNAGALR3
SCHEMBL2383072 0.74 HIF1A (0.53) OPRM1SLC22A1HIF1ALMNAGALR3
SCHEMBL5177521 0.74 OPRM1 (0.67) OPRM1SLC22A1HIF1ALMNAGALR3
SCHEMBL27514771 0.74 SLC22A1 (0.57) OPRM1SLC22A1HIF1ALMNAGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
EP-2348857-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-08-03 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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 OPRM1 4410/4885SLC22A1 3905/4885HIF1A 1426/4885

“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.