SCHEMBL260412

SCHEMBL260412

Cc1ccc(-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.68
CYP3A4 P08684 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
KIF11 P52732 1/20 0.62
TP53 P04637 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MKNK1 Q9BUB5 4/20 0.57
MKNK2 Q9HBH9 4/20 0.57
CYP11B2 P19099 1/20 0.57
KDR P35968 1/20 0.55
EPHB4 P54760 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL4582701 1.00 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL14780606 0.94 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL12339149 0.92 MKNK1 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL12339140 0.92 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL9974949 0.90 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL19309597 0.90 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL21345924 0.89 CYP3A4 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL21019112 0.89 NPC1 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
SCHEMBL26550669 0.89 CYP11B2 (0.71) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1
Thiophene SCHEMBL28308365 0.89 NPC1 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2NPC1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2023-09-26 US disclosed
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2023-09-26 US disclosed
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-06-24 US disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
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
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-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-8399108-B2 Material for organic electro-optical device having fluorene derivative compound and organic electro-optical device including the same CHEIL INDUSTRIES, INC. (KR) 2013-03-19 US disclosed
US-8399108-B2 Material for organic electro-optical device having fluorene derivative compound and organic electro-optical device including the same CHEIL INDUSTRIES, INC. (KR) 2013-03-19 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-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-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US disclosed
US-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 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
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
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 (5 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-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B CYP2A6 1485/4885CYP3A4 1473/4885ALDH1A1 3468/4885
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 CYP2A6 2269/4885CYP3A4 358/4885ALDH1A1 1313/4885
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes JUP, L1CAM, EPCAM CYP2A6 3601/4885CYP3A4 1046/4885ALDH1A1 2995/4885
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES JUP, L1CAM, EPCAM CYP2A6 3601/4885CYP3A4 1046/4885ALDH1A1 2995/4885
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 CYP2A6 2133/4885CYP3A4 303/4885ALDH1A1 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.