SCHEMBL9917231

SCHEMBL9917231

Cc1ccc2c(ccc3cc(-c4cccc5c4oc4ccccc45)ccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
PRKDC P78527 4/20 0.45
GGPS1 O95749 1/20 0.43
MAOB P27338 7/20 0.43
MAOA P21397 2/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP1A2 P05177 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL16303010 0.92 ALOX5 (0.66) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL4549418 0.88 ALOX5 (0.52) ALOX5PRKDCGGPS1MAOBMAOA
SCHEMBL4549415 0.87 ALOX5 (0.51) ALOX5PRKDCGGPS1MAOBMAOA
SCHEMBL25775061 0.86 ALOX5 (0.50) ALOX5PRKDCGGPS1MAOBMAOA
SCHEMBL9917129 0.86 ALOX5 (0.59) ALOX5PRKDCGGPS1MAOBMAOA
SCHEMBL25118635 0.86 ALOX5 (0.59) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL17167456 0.86 ALOX5 (0.59) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL4549416 0.86 ALOX5 (0.53) ALOX5PRKDCGGPS1MAOBMAOA
SCHEMBL4549414 0.85 ALOX5 (0.52) ALOX5PRKDCGGPS1MAOBMAOA
SCHEMBL6003274 0.85 ALOX5 (0.58) ALOX5PRKDCGGPS1PTGES2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 US disclosed
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-03-03 US disclosed
US-9260390-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-16 US disclosed
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-14 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 (3 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-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL ALOX5 1894/4885PRKDC 4598/4885GGPS1 4829/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885PRKDC 4060/4885GGPS1 3849/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885PRKDC 4060/4885GGPS1 3849/4885

“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.