SCHEMBL2456887

SCHEMBL2456887

CC(C)c1ccccc1-n1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
PTGS2 P35354 1/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 5/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE6D O43924 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL22507395 0.93 ESR1 (0.46) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL22522519 0.93 ESR1 (0.46) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL22522249 0.90 KDM4E (0.47) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL22507218 0.88 ESR1 (0.41) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL22513650 0.88 ESR1 (0.41) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL15940161 0.87 RAB9A (0.40) ESR1ESR2PTGS2KDM4EHSD17B10
SCHEMBL22522527 0.87 ESR1 (0.40) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL22507194 0.87 ESR1 (0.40) ESR1ESR2PTGS2TSHRKDM4E
SCHEMBL15940311 0.86 NLRP3 (0.40) ESR1ESR2PTGS2ALDH1A1GAA
SCHEMBL13299528 0.86 NLRP3 (0.52) ESR1ESR2PTGS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362889-B1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORP (US) 2018-12-26 EP disclosed
US-9257658-B2 Method of making organic electroluminescent materials UNIVERSAL DISPLAY CORPORATION (US) 2016-02-09 US disclosed
EP-2957566-A1 ORGANIC LIGHT EMITTING DEVICE, HETEROLEPTIC IRIDIUM COMPLEXES AND METHOD OF PRODUCING 2-PHENYL BENZIMIDAZOLE DERIVATIVES Universal Display Corporation (US) 2015-12-23 EP disclosed
EP-2710020-B1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS AND NEW SYNTHETIC METHODOLOGY UNIVERSAL DISPLAY CORP (US) 2015-06-24 EP disclosed
US-20140303370-A1 METHOD OF MAKING ORGANIC ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION 2014-10-09 US disclosed
US-20140303370-A1 METHOD OF MAKING ORGANIC ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION 2014-10-09 US disclosed
US-8795850-B2 Phosphorescent heteroleptic phenylbenzimidazole dopants and new synthetic methodology UNIVERSAL DISPLAY CORPORATION (US) 2014-08-05 US disclosed
US-8795850-B2 Phosphorescent heteroleptic phenylbenzimidazole dopants and new synthetic methodology UNIVERSAL DISPLAY CORPORATION (US) 2014-08-05 US disclosed
US-20130341599-A1 Phosphorescent Emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-12-26 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-20120292601-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS AND NEW SYNTHETIC METHODOLOGY UNIVERSAL DISPLAY CORPORATION (US) 2012-11-22 US disclosed
WO-2012158851-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS AND NEW SYNTHETIC METHODOLOGY UNIVERSAL DISPLAY CORPORATION (US) 2012-11-22 WO disclosed
EP-2362889-A1 PHOSPHORESCENT EMITTERS Universal Display Corporation (US) 2011-09-07 EP disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 WO disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 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 (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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 ESR1 1399/4885ESR2 1078/4885PTGS2 2873/4885
US-20120292601-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS AND NEW SYNTHETIC METHODOLOGY POF1B, OCIAD1, OCIAD2 ESR1 3504/4885ESR2 3483/4885PTGS2 3489/4885

“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.