SCHEMBL12320145

SCHEMBL12320145

Cc1cc(F)cc(F)c1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 3/20 0.47
FFAR1 O14842 3/20 0.47
LMNA P02545 4/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
METAP1 P53582 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
GRM5 P41594 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CBFB Q13951 2/20 0.40

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
SCHEMBL12319817 0.91 KDM4E (0.52) KDM4ENPC1FFAR1LMNACCR1
SCHEMBL27930092 0.87 KDM4E (0.54) KDM4ENPC1FFAR1LMNACCR1
SCHEMBL19228163 0.86 KDM4E (0.47) KDM4ENPC1FFAR1LMNACCR1
SCHEMBL12320139 0.81 CCR1 (0.53) KDM4ENPC1FFAR1CCR1CCR5
SCHEMBL28509029 0.79 KDM4E (0.45) KDM4ENPC1FFAR1LMNACCR1
SCHEMBL13072061 0.78 FFAR1 (0.44) KDM4ENPC1FFAR1LMNACCR1
SCHEMBL12319810 0.78 TSHR (0.33) FFAR1GRM5MAPK1
SCHEMBL12320088 0.77 CYP2A6 (0.42) NPC1RAB9AMETAP2ALDH1A1
SCHEMBL31420202 0.77 CCR1 (0.44) KDM4ENPC1FFAR1LMNACCR1
SCHEMBL17037055 0.77 CCR1 (0.50) NPC1FFAR1CCR1CCR8GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220809-A1 COMPOSITE CATALYST FOR CARBON DIOXIDE REDUCTION AND METHOD OF FABRICATING OF THE SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, SEJONG CAMPUS (KR) 2021-07-22 US disclosed
US-9722192-B2 Metal complex, preparation method and use thereof, and display device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-08-01 US disclosed
WO-2017111544-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-29 WO disclosed
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 US disclosed
EP-1424350-B1 PHOSPHOR LIGHT-EMITTING COMPOUND, PHOSPHOR LIGHT-EMITTING COMPOSITION, AND ORGANIC LIGHT EMITTING ELEMENT JAPAN BROADCASTING CORP (JP) 2014-08-27 EP disclosed
US-20140124760-A1 ORGANOMETALLIC COMPLEXES, AND ORGANIC ELECTROLUMINESCENCE DEVICE AND DISPLAY USING THE SAME CHEIL INDUSTRIES INC. (KR) 2014-05-08 US disclosed
US-8680760-B2 Beta-diketone ancillary ligands and their metal complexes used in organic optoelectronic devices NATIONAL TSING HUA UNIVERSITY (TW) 2014-03-25 US disclosed
EP-2650941-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2013-10-16 EP disclosed
US-8410269-B2 Phosphorescent iridium complex with non-conjugated cyclometalated ligands, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-04-02 US disclosed
US-20110313162-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 US disclosed
US-20110313161-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 US disclosed
US-8017774-B2 Producing method for iridium complex CANON KABUSHIKI KAISHA (JP) 2011-09-13 US disclosed
EP-1698679-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO (JP) 2011-04-06 EP disclosed
US-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX CANON KABUSHIKI KAISHA (JP) 2007-10-04 US 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-20110313161-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF LIG3, LIG4, LIG1 KDM4E 3694/4885NPC1 3469/4885FFAR1 4306/4885
US-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB KDM4E 1049/4885NPC1 4802/4885FFAR1 4822/4885
US-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX LAGE3, EML4, INTS9 KDM4E 1709/4885NPC1 3553/4885FFAR1 4818/4885
US-20110313162-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF LIG3, LIG4, LIG1 KDM4E 3694/4885NPC1 3469/4885FFAR1 4306/4885

“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.