SCHEMBL6288448

SCHEMBL6288448

COC(=O)c1cc(C=O)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
ERN1 O75460 5/20 0.47
SIRT5 Q9NXA8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KAT6A Q92794 1/20 0.43
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
P4HB P07237 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CDK8 P49336 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
SCHEMBL4856931 0.84 TRIM24 (0.52) ERN1KAT6AXDHSLC22A12IKBKB
SCHEMBL7822720 0.84 PLAU (0.61) PLAUERN1KAT6AXDHSLC22A12
SCHEMBL7717556 0.83 PLAU (0.50) PLAUERN1SIRT5KAT6AXDH
SCHEMBL29929690 0.81 ERN1 (0.63) PLAUERN1ALDH1A1CA12CA1
SCHEMBL10068712 0.81 ALDH1A1 (0.53) ERN1ALDH1A1CA12CA1CA2
SCHEMBL6751413 0.80 PLAU (0.47) PLAUSIRT5KAT6AXDHSLC22A12
SCHEMBL6659038 0.80 PLAU (0.60) PLAUERN1SIRT5KAT6AXDH
SCHEMBL2160688 0.80 ALDH1A1 (0.50) ERN1ALDH1A1XDHP4HBCYP11B1
SCHEMBL6749963 0.79 CYP4F2 (0.48) PLAUERN1SIRT5KAT6AXDH
SCHEMBL7038355 0.79 PLAU (0.47) PLAUERN1SIRT5KAT6AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949668-B2 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound TEIJIN LIMITED (JP) 2005-09-27 US disclosed
US-20050014966-A1 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound TEIJIN LIMITED (JP) 2005-01-20 US disclosed
EP-1460059-A1 PROCESS FOR PRODUCING 5-(3-CYANOPHENYL)-3-FORMYLBENZOIC ACID COMPOUND TEIJIN LIMITED (JP) 2004-09-22 EP disclosed
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
US-20030203935-A1 Cyanobiphenyl derivatives TEIJIN LIMITED 2003-10-30 US disclosed
US-6538137-B1 Blood-coagulation factor X inhibitors TEIJIN LIMITED (JP) 2003-03-25 US disclosed
EP-1179527-A1 CYANOBIPHENYL DERIVATIVES TEIJIN LIMITED (JP) 2002-02-13 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 (3 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 PLAU 3848/4885ERN1 1737/4885SIRT5 410/4885
US-20050014966-A1 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound PAH, CA5B, PCCA PLAU 2817/4885ERN1 4692/4885SIRT5 487/4885
US-20030203935-A1 Cyanobiphenyl derivatives F9, F12, F11 PLAU 111/4885ERN1 1752/4885SIRT5 3373/4885

“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.