SCHEMBL9916169

SCHEMBL9916169

CC(C)c1cccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
GGPS1 O95749 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.43
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PRKDC P78527 5/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PTPN5 P54829 2/20 0.37
PLA2G2A P14555 1/20 0.37
PLA2G4A P47712 1/20 0.37
ATM Q13315 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL9916164 0.97 ALOX5 (0.57) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL9916193 0.93 ALOX5 (0.53) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL9916210 0.90 ALOX5 (0.57) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL9916175 0.90 ALOX5 (0.57) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL9916192 0.90 ALOX5 (0.57) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL25470353 0.88 ALOX5 (0.50) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL9916211 0.88 ALOX5 (0.53) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL12996525 0.87 ALOX5 (0.69) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL15855421 0.87 ALOX5 (0.69) ALOX5GGPS1PTGES2TNKSPARP1
SCHEMBL13520983 0.86 ALOX5 (0.55) ALOX5GGPS1PTGES2PRKDCPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2019-07-16 US disclosed
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 US disclosed
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-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
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 (4 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 4829/4885PTGES2 3438/4885
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL ALOX5 1881/4885GGPS1 4828/4885PTGES2 3467/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885GGPS1 3849/4885PTGES2 3369/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885GGPS1 3849/4885PTGES2 3369/4885

“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.