SCHEMBL17816331

SCHEMBL17816331

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
BACE1 P56817 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL15731062 0.94 CYP1A2 (0.46) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL18159294 0.94 ESR1 (0.44) CYP1A2ALDH1A1HSD17B10CYP3A4ESR1
SCHEMBL15731051 0.93 ESR1 (0.40) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL15731043 0.93 CYP1A2 (0.38) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL15731038 0.93 CYP1A2 (0.38) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL16271365 0.93 CYP1A2 (0.41) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL15731019 0.93 CYP1A2 (0.41) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL6844368 0.91 CYP1A2 (0.39) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL15731048 0.91 CYP1A2 (0.42) CYP1A2ALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL18079876 0.90 ALDH1A1 (0.45) CYP1A2ALDH1A1CYP3A4ESR1ESR2

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-20160163993-A1 AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163993-A1 AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 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-20160163993-A1 AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ODC1, SAT1, AOC2 CYP1A2 182/4885ALDH1A1 16/4885CYP1A1 118/4885

“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.