SCHEMBL9917235

SCHEMBL9917235

Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2cccc4c2oc2ccccc24)ccc1-3

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
GGPS1 O95749 1/20 0.42
PRKDC P78527 4/20 0.41
PTGES2 Q9H7Z7 1/20 0.37
MAOB P27338 3/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PDK2 Q15119 3/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 1/20 0.34
AVPR1A P37288 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ATM Q13315 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL9917146 0.98 ALOX5 (0.53) ALOX5GGPS1PRKDCPTGES2MAOB
SCHEMBL20276869 0.91 ALOX5 (0.59) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL20799754 0.89 ALOX5 (0.47) ALOX5GGPS1PRKDCMAOBPDK2
SCHEMBL12324541 0.89 ALOX5 (0.57) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL21742530 0.88 ALOX5 (0.45) ALOX5GGPS1PRKDCMAOBTNKS
SCHEMBL9917241 0.88 ALOX5 (0.41) ALOX5GGPS1PRKDCMAOBTNKS
SCHEMBL17206480 0.88 ALOX5 (0.53) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL16017825 0.88 ALOX5 (0.56) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL21742672 0.87 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2MAOB
SCHEMBL9917134 0.87 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2MAOB

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 1894/4885GGPS1 4829/4885PRKDC 4598/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885GGPS1 3849/4885PRKDC 4060/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885GGPS1 3849/4885PRKDC 4060/4885

“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.