SCHEMBL550148

SCHEMBL550148

C=Cc1ccc(-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.60
CYP3A4 P08684 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
MKNK1 Q9BUB5 5/20 0.52
MKNK2 Q9HBH9 5/20 0.52
CYP11B2 P19099 2/20 0.52
KIF11 P52732 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP19A1 P11511 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL30785347 1.00 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL12360063 1.00 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
Benzene SCHEMBL28562972 0.98 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL11983156 0.94 CYP2A6 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL10025260 0.94 CYP2A6 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL550265 0.93 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL10025262 0.91 CYP19A1 (0.53) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL10022102 0.85 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL551427 0.85 PTGS2 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL24534338 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1

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 7 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-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
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 1144/4885CYP3A4 30/4885ALDH1A1 865/4885

“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.