SCHEMBL17853249

SCHEMBL17853249

CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
GGPS1 O95749 1/20 0.34
PRKDC P78527 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CA12 O43570 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
SCHEMBL17733358 0.99 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL17853250 0.97 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL17733433 0.96 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL17853228 0.94 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2
SCHEMBL17733383 0.94 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2
SCHEMBL17733357 0.94 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2
SCHEMBL17853244 0.94 ALOX5 (0.36) ALOX5GGPS1PRKDCCHRNA1CHRNG
SCHEMBL17853236 0.93 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2
SCHEMBL17853262 0.93 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2
SCHEMBL17733363 0.93 ALOX5 (0.36) ALOX5GGPS1PRKDCCHRNA1CHRNG

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-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 (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-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE AOC2, PNMT, TYR ALOX5 2629/4885GGPS1 4160/4885PRKDC 3008/4885

“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.