SCHEMBL4730316

SCHEMBL4730316

Cc1cc(C(F)(F)F)ccc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.50
CYP1A2 P05177 3/20 0.47
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
TGFBR1 P36897 2/20 0.44
GRM5 P41594 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4728125 0.89 CBFB (0.49) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL18716931 0.85 METAP2 (0.51) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL14116546 0.83 MPL (0.55) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL28209756 0.83 CBFB (0.50) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL1206412 0.83 CBFB (0.50) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL6301360 0.83 CBFB (0.50) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL19072708 0.83 CYP1A2 (0.49) CBFBCYP1A2CCR1CCR5CCR8
SCHEMBL24450073 0.82 KDM4E (0.44) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL11272726 0.82 ALOX5AP (0.50) CBFBCYP1A2KDM4ENPC1TGFBR1
SCHEMBL996983 0.82 CBFB (0.49) CBFBKDM4ENPC1TGFBR1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230209988-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE HAVING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-9859511-B2 Organoiridium complex for organic electroluminescent elements TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-01-02 US disclosed
EP-2138486-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-11-22 EP disclosed
US-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-08-17 US disclosed
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines UDC IRELAND LTD (IE) 2017-02-16 US disclosed
US-9472762-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2016-10-18 US disclosed
US-9284278-B2 Electroluminescent metal complex BASF SE (DE) 2016-03-15 US disclosed
US-9012899-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2015-04-21 US disclosed
US-20150005497-A1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2015-01-01 US disclosed
EP-2687530-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20130292660-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS BASF SE (DE) 2013-11-07 US disclosed
US-8492749-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2013-07-23 US disclosed
US-8471248-B2 Electroluminiscent metal complexes with dibenzo[f,h] quinoxalines BASF SE (DE) 2013-06-25 US disclosed
US-8080667-B2 Electroluminescent metal complexes with triazoles and benzotriazoles BASF SE (DE) 2011-12-20 US disclosed
US-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands UDC IRELAND LIMITED (IE) 2011-05-19 US disclosed
US-20110089407-A1 ELECTROLUMINISCENT METAL COMPLEXES WITH DIBENZO[F,H] QUINOXALINES BASF SE (DE) 2011-04-21 US disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 WO disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 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 (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-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS L1CAM, ETFA, TTI2 CBFB 1248/4885CYP1A2 1769/4885KDM4E 2850/4885
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines NDUFS2, OCIAD2, NDUFS3 CBFB 1742/4885CYP1A2 1159/4885KDM4E 3445/4885
US-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands OCIAD1, OCIAD2, C1S CBFB 1010/4885CYP1A2 438/4885KDM4E 3216/4885
US-20110089407-A1 ELECTROLUMINISCENT METAL COMPLEXES WITH DIBENZO[F,H] QUINOXALINES NDUFS2, NDUFS5, NDUFS3 CBFB 2278/4885CYP1A2 991/4885KDM4E 4070/4885

“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.