SCHEMBL550808

SCHEMBL550808

C=Cc1ccc(-c2ccccc2-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
NOTUM Q6P988 1/20 0.43
CYP19A1 P11511 3/20 0.42
CYP11B2 P19099 3/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 2/20 0.38
IMPDH2 P12268 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK10 P53779 1/20 0.37
PIK3CD O00329 1/20 0.37
AURKA O14965 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL550506 0.85 MAPT (0.55) ALDH1A1TSHRNOTUMCYP19A1CYP11B2
SCHEMBL16290260 0.85 MAPT (0.55) ALDH1A1TSHRNOTUMCYP19A1CYP11B2
SCHEMBL8759106 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL10022094 0.82 NOTUM (0.42) ALDH1A1TSHRNOTUMCYP19A1CYP11B2
SCHEMBL551427 0.82 PTGS2 (0.54) ALDH1A1TSHRCYP19A1CYP11B2MAPT
SCHEMBL28928500 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL4032281 0.80 NOTUM (0.63) ALDH1A1TSHRNOTUMCYP19A1CYP11B2
SCHEMBL30708901 0.80 NOTUM (0.63) ALDH1A1TSHRNOTUMCYP19A1CYP11B2
SCHEMBL10022105 0.78 CYP19A1 (0.46) ALDH1A1TSHRNOTUMCYP19A1CYP11B2
SCHEMBL550398 0.78 NOTUM (0.46) ALDH1A1NOTUMCYP19A1CYP11B2MAPT

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 ALDH1A1 865/4885TSHR 4534/4885NOTUM 1094/4885

“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.