SCHEMBL18317628

SCHEMBL18317628

Cc1[c]c2c3c(cccc3c1)-c1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 2/20 0.45
CASP1 P29466 3/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 2/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 1/20 0.41
KLK7 P49862 1/20 0.38
PABPC1 P11940 2/20 0.37
CYP3A4 P08684 1/20 0.37
DNMT1 P26358 1/20 0.37
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL18317228 0.78 MAPK1 (0.45) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL6413199 0.78 ALDH1A1 (0.45) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL2995194 0.75 KLK7 (0.47) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL6417159 0.74 MAPK1 (0.41) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL6413188 0.71 ALDH1A1 (0.38) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL2885158 0.70 CYP1A2 (0.45) ALDH1A1HSD17B10TSHRL3MBTL1HPGD
SCHEMBL18317640 0.69 KDM4E (0.41) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL18317172 0.68 RAB9A (0.37) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL9466398 0.68 ALDH1A1 (0.58) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL26787 0.67 ALDH1A1 (0.56) MAPK1ALDH1A1HSD17B10TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 US 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 MAPK1 573/4885ALDH1A1 200/4885HSD17B10 2265/4885

“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.