SCHEMBL6831985

SCHEMBL6831985

COC(=O)c1cccc(C(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
VNN1 O95497 8/20 0.52
GSK3B P49841 2/20 0.50
PLAU P00749 1/20 0.49
GRM5 P41594 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL60040 0.94 MRGPRX4 (0.56) CYP11B1CYP11B2MRGPRX4GSK3BPLAU
SCHEMBL30444713 0.94 MRGPRX4 (0.56) CYP11B1CYP11B2MRGPRX4GSK3BPLAU
SCHEMBL6578619 0.88 CYP11B1 (0.55) CYP11B1CYP11B2MRGPRX4GSK3BPLAU
SCHEMBL2892627 0.85 TSHR (0.61) LOXL2
SCHEMBL7822720 0.84 PLAU (0.61) CYP11B1CYP11B2MRGPRX4GSK3BPLAU
SCHEMBL3456924 0.84 MRGPRX4 (0.52) CYP11B1CYP11B2MRGPRX4GSK3BPLAU
SCHEMBL16396165 0.83 P4HB (0.63) VNN1GSK3B
SCHEMBL30874553 0.82 ALDH1A1 (0.54) VNN1GSK3B
SCHEMBL29191014 0.82 ALDH1A1 (0.54) VNN1GSK3B
SCHEMBL5928256 0.82 RAB9A (0.52) CYP11B1CYP11B2MRGPRX4PLAU

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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US disclosed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives CCNY, ACLY, IWS1 CYP11B1 1370/4885CYP11B2 1638/4885MRGPRX4 4364/4885

“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.