SCHEMBL12117231

SCHEMBL12117231

Cn1c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2c2cc3c(cc21)-c1ccc(N2c4ccccc4C(C)(C)c4ccccc42)cc1C3(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12117259 0.95 PGR (0.33) BCHEACHEMAPTKMT2ACYP1A2
SCHEMBL12116385 0.94 GPR3 (0.38) BCHEACHEMAPTKMT2ACYP1A2
SCHEMBL12116364 0.93 CYP1A2 (0.32) KMT2ACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL12117308 0.88 MAPT (0.36) BCHEACHEMAPTKMT2ACYP1A2
SCHEMBL12117273 0.87 MEN1 (0.34) MAPTKMT2AKDM4EMEN1
SCHEMBL12116384 0.86 GPR3 (0.37) BCHEACHEMAPTKMT2AKDM4E
SCHEMBL24210010 0.84 GPR3 (0.46) BCHEACHEMAPTKMT2ACYP1A2
SCHEMBL12116378 0.84 ALDH1A1 (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12117248 0.84 PGR (0.35) —
SCHEMBL13143076 0.83 BCHE (0.46) BCHEACHEMAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10008673-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2018-06-26 — — US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 — — US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 — — US disclosed
US-9475792-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2016-10-25 — — US disclosed
US-9475792-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2016-10-25 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — US disclosed
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
WO-2010083872-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — 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 (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-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 BCHE 1391/4885ACHE 863/4885MAPT 2304/4885
US-10008673-B2 Compounds for electronic devices CYP1B1, CYP1A1, CYP2E1 BCHE 1391/4885ACHE 863/4885MAPT 2304/4885
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO1A2 BCHE 2549/4885ACHE 1001/4885MAPT 2011/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 BCHE 1391/4885ACHE 863/4885MAPT 2304/4885

“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.

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