SCHEMBL17734489

SCHEMBL17734489

Cc1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C)c(C)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALOX5 P09917 1/20 0.33
TYMS P04818 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TAAR1 Q96RJ0 1/20 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
SCHEMBL17734510 1.00 HSD17B1 (0.35) HSD17B1HSD17B2TNKS2MAPTHPGD
SCHEMBL17734525 0.97 HSD17B1 (0.37) HSD17B1HSD17B2TNKS2MAPTHPGD
SCHEMBL7772390 0.93 CYP3A4 (0.33) HSD17B1HSD17B2TNKS2MAPTALDH1A1
SCHEMBL19341526 0.91 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2MAPTHPGD
SCHEMBL15870796 0.91 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2MAPTHPGD
SCHEMBL2545914 0.91 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2MAPTHPGD
SCHEMBL15306327 0.91 ALDH1A1 (0.38) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL17734511 0.90 HSD17B1 (0.37) HSD17B1HSD17B2TNKS2BRD4SLC6A2
SCHEMBL7769888 0.90 HSD17B1 (0.38) HSD17B1HSD17B2MAPTHPGDALDH1A1
SCHEMBL12593254 0.90 ALDH1A1 (0.38) HSD17B1HSD17B2TNKS2MAPTHPGD

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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 US disclosed
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT ARL1, CCNL2, APOL1 HSD17B1 2383/4885HSD17B2 2310/4885TNKS2 2772/4885

“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.