SCHEMBL550398

SCHEMBL550398

C=Cc1ccc(-c2cccc(-c3ccncc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
PRKCI P41743 1/20 0.46
KIF11 P52732 1/20 0.46
QDPR P09417 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CHEK1 O14757 2/20 0.42
CYP17A1 P05093 4/20 0.42
CYP11B1 P15538 4/20 0.42
CYP21A2 P08686 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
P4HB P07237 1/20 0.41
DYRK1A Q13627 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
PTGS2 P35354 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL10022095 0.89 NOTUM (0.46) NOTUMPRKCIKIF11QDPRALDH1A1
SCHEMBL10022093 0.89 PTGS2 (0.50) NOTUMPRKCIKIF11QDPRLMNA
SCHEMBL16290260 0.88 MAPT (0.55) NOTUMKIF11QDPRALDH1A1LMNA
SCHEMBL550506 0.88 MAPT (0.55) NOTUMKIF11QDPRALDH1A1LMNA
SCHEMBL594542 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4PTGS2MEN1ESR1
SCHEMBL17127156 0.86 NOTUM (0.48) NOTUMPRKCIKIF11QDPRALDH1A1
SCHEMBL550265 0.84 CYP2A6 (0.52) KIF11ALDH1A1CYP17A1CYP11B1CYP3A4
SCHEMBL8758599 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4PTGS2MEN1ESR1
SCHEMBL23729172 0.83 NOTUM (0.65) NOTUMPRKCIKIF11QDPRLMNA
SCHEMBL14425853 0.83 NOTUM (0.65) NOTUMPRKCIKIF11QDPRLMNA

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 4 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-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
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 NOTUM 1094/4885PRKCI 1697/4885KIF11 4472/4885

“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.