SCHEMBL2256297

SCHEMBL2256297

Cc1cccc2[c]cc[c]c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2A6 P11509 3/20 0.42
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TRPA1 O75762 2/20 0.31
CD44 P16070 1/20 0.31
ATM Q13315 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
SCHEMBL2250625 0.84
SCHEMBL4267995 0.79 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL668081 0.71 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL386156 0.71 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL668494 0.71 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL455151 0.71 ALDH1A1 (0.41) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL465027 0.71 CYP1A2 (0.36) CYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL2285983 0.71 CA1 (0.42) ALDH1A1TSHRCA1CA2CA7
SCHEMBL20973057 0.67 CYP2A6 (0.42) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL70280 0.67 CYP2A6 (0.31) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
EP-2746271-A1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules Tosoh Corporation (JP) 2014-06-25 EP disclosed
EP-2141158-B1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORP (JP) 2014-05-07 EP disclosed
US-8569485-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2013-10-29 US disclosed
US-20120313090-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2012-12-13 US disclosed
EP-1930329-B1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT TOSOH CORP (JP) 2012-10-24 EP disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
EP-2141158-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT Tosoh Corporation (JP) 2010-01-06 EP disclosed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US disclosed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP 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-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT H1-5, H1-4, H1-2 CYP1A2 227/4885CYP2A6 2269/4885ALDH1A1 1313/4885
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 CYP1A2 459/4885CYP2A6 2133/4885ALDH1A1 699/4885

“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.