SCHEMBL4816682

SCHEMBL4816682

CCn1cc(Cc2cccc(-c3ccc(OC)cc3C=O)c2)c2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
PGGT1B P53609 3/20 0.37
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
BCHE P06276 2/20 0.34
DGAT2 Q96PD7 1/20 0.34
HTR6 P50406 1/20 0.33
BTK Q06187 1/20 0.33
ACHE P22303 1/20 0.33
GRM2 Q14416 1/20 0.33
RAB9A P51151 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL4808846 0.80 PLA2G2A (0.42) ALDH1A1HTR6
SCHEMBL4810971 0.79 PLA2G4A (0.43) FNTAFNTBALDH1A1RAB9A
SCHEMBL4813180 0.76 PLA2G4A (0.34) FNTAFNTBNR3C1PGRNR3C2
SCHEMBL4813255 0.73 NR3C1 (0.38) NR3C1PGRNR3C2AR
SCHEMBL4807618 0.70 ALDH1A1 (0.41) ALDH1A1RAB9A
SCHEMBL4812579 0.69 PLA2G4A (0.40) FNTAFNTBALDH1A1RAB9A
SCHEMBL4812571 0.69 PLA2G4A (0.43) FNTAFNTBALDH1A1RAB9A
SCHEMBL4813707 0.69 PLA2G4A (0.44) FNTAFNTBNR3C1PGRNR3C2
SCHEMBL4813225 0.68 PLA2G2A (0.48) ALDH1A1HTR6
SCHEMBL981876 0.67 ALDH1A1 (0.67) ALDH1A1BCHEHTR6RAB9APTGER4

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-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 FNTA 2730/4885FNTB 3938/4885PGGT1B 2529/4885

“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.