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SCHEMBL402974

SCHEMBL402974

Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccc(-c4ccc(-c5cccc(N(c6ccc(C)cc6)c6ccc(C)cc6)c5)c5ccccc45)c4ccccc34)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CRHR1 P34998 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ CTSV O60911 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ KIF11 P52732 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
SCHEMBL23764168 0.88 KDM4E (0.37) BRD4CNR2ALDH1A1CYP2C19KDM4E
SCHEMBL1548086 0.88 ALDH1A1 (0.36) ALDH1A1CYP2C19KDM4EHPGDCRHR1
SCHEMBL401883 0.87 HSD17B1 (0.38) CNR2ALDH1A1KDM4EHPGDCRHR1
SCHEMBL19849756 0.86 CRHR1 (0.36) BRD4CNR2ALDH1A1CYP2C19KDM4E
SCHEMBL12550625 0.86 PTPRC (0.38) ALDH1A1CYP2C19KDM4EHPGDCRHR1
SCHEMBL13658706 0.86 ALDH1A1 (0.40) BRD4CNR2ALDH1A1CYP2C19KDM4E
SCHEMBL6545270 0.85 KDM4E (0.36) CNR2ALDH1A1CYP2C19KDM4EHPGD
SCHEMBL24919030 0.85 MCL1 (0.45) CYP2C19CRHR1CYP2C9
SCHEMBL16616457 0.85 CYP2C19 (0.38) ALDH1A1CYP2C19KDM4EHPGDCRHR1
SCHEMBL12619865 0.84 ALDH1A1 (0.43) ALDH1A1CYP2C19KDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9574084-B2 Hole transport composition E I DU PONT DE NEMOURS AND COMPANY (US) 2017-02-21 — — US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 — — US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 — — US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 — — US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 — — US disclosed
US-20130150536-A1 HOLE TRANSPORT COMPOSITION E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-13 — — US disclosed
US-8343381-B1 Hole transport composition E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 — — US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 — — US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 — — US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 — — US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 — — 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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B BRD4 890/4885CNR2 338/4885ALDH1A1 290/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B BRD4 890/4885CNR2 338/4885ALDH1A1 290/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B BRD4 890/4885CNR2 338/4885ALDH1A1 290/4885

“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.