SCHEMBL9917178

SCHEMBL9917178

Cc1ccc(-c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
PARP14 Q460N5 1/20 0.48
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
GPR3 P46089 1/20 0.42
MAPT P10636 2/20 0.41
PRKDC P78527 5/20 0.40
ENPP1 P22413 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LIMK1 P53667 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10118677 1.00 ALOX5 (0.59) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL6015215 0.98 ALOX5 (0.60) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL21427970 0.95 ALOX5 (0.57) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL22079637 0.92 ALOX5 (0.54) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL27109837 0.91 ALOX5 (0.51) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL29892299 0.91 ALOX5 (0.51) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL26551230 0.91 ALOX5 (0.55) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL74447 0.91 ALOX5 (0.51) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL15893248 0.91 ALOX5 (0.68) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL26557631 0.90 ALOX5 (0.53) ALOX5PARP14TNKSTNKS2GPR3

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 6 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
EP-2468725-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-06-27 EP 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 1894/4885PARP14 2861/4885TNKS 4121/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885PARP14 2222/4885TNKS 3400/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885PARP14 2222/4885TNKS 3400/4885

“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.