SCHEMBL16629654

SCHEMBL16629654

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ncc5cccnc5c34)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
CYP2A6 P11509 1/20 0.31
AKT1 P31749 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL16629701 0.94 TOP1 (0.33) TOP1KDM4ECYP1A2NPC1TDP2
SCHEMBL16629707 0.89 KDM4E (0.33) TOP1KDM4ENPC1
SCHEMBL16629907 0.88 TOP1 (0.34) TOP1KDM4ECYP1A2NPC1CYP2A6
SCHEMBL16629651 0.85 CYP1A2 (0.39) TOP1KDM4ECYP1A2NPC1CYP2A6
SCHEMBL16618507 0.83 TOP1 (0.33) TOP1KDM4ENPC1
SCHEMBL16629905 0.83 TOP1 (0.33) TOP1NPC1CYP2A6
SCHEMBL16629755 0.83 TOP1 (0.33) TOP1KDM4ENPC1
SCHEMBL16629695 0.83 KDM4E (0.35) TOP1KDM4ENPC1
SCHEMBL16629649 0.82 KDM4E (0.32) TOP1KDM4ENPC1
SCHEMBL16629756 0.81 TOP1 (0.34) TOP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 WO 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 (2 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-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 TOP1 721/4885KDM4E 1939/4885CYP1A2 30/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 TOP1 721/4885KDM4E 1939/4885CYP1A2 30/4885

“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.