SCHEMBL17853243

SCHEMBL17853243

CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3-c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.36
ALOX5 P09917 1/20 0.36
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL17733365 0.99 F9 (0.36) F9ALOX5MCL1ACMSDCHRNA1
SCHEMBL17853254 0.94 ALOX5 (0.40) F9ALOX5MCL1ACMSDCA12
SCHEMBL24747622 0.94 F9 (0.35) F9ALOX5MCL1ACMSDCHRNA1
SCHEMBL17733432 0.94 ALOX5 (0.41) F9ALOX5MCL1ACMSDCHRNA1
SCHEMBL17853222 0.93 ALOX5 (0.37) F9ALOX5
SCHEMBL17733362 0.93 ALOX5 (0.37) F9ALOX5
SCHEMBL17853197 0.93 ALOX5 (0.37) F9ALOX5
SCHEMBL21205995 0.93 F9 (0.35) F9ALOX5MCL1ACMSDCA12
SCHEMBL17853257 0.93 ALOX5 (0.35) F9ALOX5
SCHEMBL17733279 0.93 ALOX5 (0.40) F9ALOX5MCL1ACMSDCHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10411192-B2 Aromatic amine compound, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-09-10 US disclosed
US-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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 (2 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-10411192-B2 Aromatic amine compound, organic electroluminescent element and electronic device AOC2, PNMT, TYR F9 1124/4885ALOX5 2629/4885MCL1 4332/4885
US-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE AOC2, PNMT, TYR F9 1124/4885ALOX5 2629/4885MCL1 4332/4885

“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.