SCHEMBL12117259

SCHEMBL12117259

Cn1c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2c2cc3c(cc21)-c1ccccc1C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KDM4E B2RXH2 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
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 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
SCHEMBL12117231 0.95 BCHE (0.32) KMT2AMEN1BCHEACHEMAPT
SCHEMBL12116385 0.89 GPR3 (0.38) KMT2AMEN1BCHEACHEMAPT
SCHEMBL12117308 0.88 MAPT (0.36) KMT2AMEN1BCHEACHEMAPT
SCHEMBL12116364 0.88 CYP1A2 (0.32) KMT2ACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL12117273 0.87 MEN1 (0.34) KMT2AMEN1MAPTKDM4E
SCHEMBL24210010 0.84 GPR3 (0.46) KMT2AMEN1BCHEACHEMAPT
SCHEMBL12117253 0.84 PGR (0.40) PGRKMT2AMEN1
SCHEMBL13143076 0.83 BCHE (0.46) PGRKMT2AMEN1BCHEACHE
SCHEMBL22899975 0.83 MAPT (0.39) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL12117254 0.82 MEN1 (0.34) PGRKMT2AMEN1MAPTKDM4E

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-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-2011107186-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-09 — — WO 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 PGR 1488/4885KMT2A 1564/4885MEN1 62/4885
US-10008673-B2 Compounds for electronic devices CYP1B1, CYP1A1, CYP2E1 PGR 1488/4885KMT2A 1564/4885MEN1 62/4885
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO1A2 PGR 1892/4885KMT2A 3818/4885MEN1 2133/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 PGR 1488/4885KMT2A 1564/4885MEN1 62/4885

“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.

Send feedback