SCHEMBL2944478

SCHEMBL2944478

Cc1[c]cc(C)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
BACE1 P56817 1/20 0.38
DHFR P00374 1/20 0.37
KDM4E B2RXH2 3/20 0.35
PSMB5 P28074 2/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALOX5 P09917 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SQOR Q9Y6N5 1/20 0.33

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
SCHEMBL7456557 0.80 ESR2 (0.40) ESR2CYP2A6CYP2B6BACE1DHFR
SCHEMBL7463096 0.80 CYP2A6 (0.43) ESR2CYP2A6CYP2B6BACE1KDM4E
SCHEMBL360305 0.77 SQOR (0.44) ESR2CYP2A6CYP2B6BACE1KDM4E
SCHEMBL1980000 0.75 PLA2G7 (0.51) CYP2A6LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL4830408 0.74 ESR2 (0.60) ESR2CYP2A6CYP2B6BACE1DHFR
SCHEMBL7827532 0.73 HPRT1 (0.45) ESR2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6566414 0.72 CYP1A1 (0.34) CYP2A6CYP2B6KDM4ELMNASMN1; SMN2
SCHEMBL5547251 0.72 ESR2 (0.58) ESR2CYP2A6CYP2B6BACE1DHFR
SCHEMBL3410831 0.71 ALDH1A1 (0.37) CYP2A6KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6168421 0.69 MAPT (0.38) CYP2A6KDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166098-A Triazine compound, material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-07-23 CN 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
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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ESR2 383/4885CYP2A6 2269/4885CYP2B6 1890/4885

“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.