SCHEMBL10022103

SCHEMBL10022103

C=Cc1ccccc1-c1ccc(-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
PTGS2 P35354 1/20 0.45
CYP11B2 P19099 5/20 0.45
CYP19A1 P11511 4/20 0.45
CYP11B1 P15538 3/20 0.45
KIF11 P52732 1/20 0.45
CYP17A1 P05093 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PIK3CA P42336 1/20 0.42
ERN1 O75460 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10960411 0.91 CYP2A6 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL10022104 0.87 MEN1 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL10022099 0.85 CYP2A6 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4PTGS2
SCHEMBL10022120 0.82 NOTUM (0.46) ALDH1A1CYP1A2CYP3A4CYP11B2CYP19A1
SCHEMBL8758641 0.82 ALDH1A1 (0.43) CYP2A6ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL29266807 0.82 CYP2A6 (0.68) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
Biphenyl SCHEMBL28948287 0.80 ALDH1A1 (0.44) CYP2A6ALDH1A1TSHR
SCHEMBL2467050 0.80 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHR
SCHEMBL1878224 0.78 NOTUM (0.44) ALDH1A1CYP1A2CYP3A4CYP11B2CYP19A1
SCHEMBL551427 0.78 PTGS2 (0.54) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
WO-2007129810-A1 SYNTHESIS OF VINYLPHENYLPYRIDINE AND LIVING ANIONIC POLYMERIZATION GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-11-15 WO 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-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization PBRM1, MVD, PCBP1 CYP2A6 1144/4885ALDH1A1 865/4885CYP1A2 302/4885

“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.