SCHEMBL18633573

SCHEMBL18633573

C=Nc1ccc(-c2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL20258262 0.86 CYP3A4 (0.37) HSD17B1HSD17B2ALDH1A1CYP3A4TSHR
SCHEMBL11523081 0.77 HSD17B1 (0.41) HSD17B1HSD17B2TNKS2BRD4ALOX5
SCHEMBL12432698 0.76 HDAC1 (0.38) ALOX5ALDH1A1GAAL3MBTL1TDP1
SCHEMBL10456438 0.76 HSD17B1 (0.36) HSD17B1HSD17B2TNKS2BRD4ALOX5
SCHEMBL30645568 0.73 ALDH1A1 (0.49) HSD17B1HSD17B2TNKS2BRD4ALOX5
SCHEMBL1986773 0.73 ALDH1A1 (0.49) HSD17B1HSD17B2TNKS2BRD4ALOX5
Formaldehyde SCHEMBL29086913 0.72 MCL1 (0.48) HSD17B1HSD17B2TNKS2BRD4ALOX5
SCHEMBL24928423 0.71 SIGMAR1 (0.38) HSD17B1HSD17B2BRD4ALOX5GAA
SCHEMBL6451652 0.71
SCHEMBL5013854 0.70 ESR2 (0.63) HSD17B1HSD17B2TNKS2BRD4ALOX5

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-20190157569-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-05-23 US disclosed
US-20170077423-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-16 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-20190157569-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, ICOSLG, ELAVL1 HSD17B1 4661/4885HSD17B2 4423/4885TNKS2 3469/4885

“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.