SCHEMBL17152015

SCHEMBL17152015

CC1(C)c2ccccc2-c2c(-c3c(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)c4ccccc4c4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 5/20 0.32
NR1I3 Q14994 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2B6 P20813 2/20 0.32
AHR P35869 2/20 0.32
VDR P11473 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
GP6 Q9HCN6 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP2D6 P10635 3/20 0.30
MAPK1 P28482 2/20 0.30
CYP2C19 P33261 2/20 0.30
HSD17B10 Q99714 2/20 0.30
CLK4 Q9HAZ1 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL17152008 0.93 L3MBTL1 (0.35) CYP1A2CYP3A4CYP2C9L3MBTL1CYP2D6
SCHEMBL18386083 0.92 L3MBTL1 (0.37) POLBL3MBTL1MAPK1HSD17B10KDM4E
SCHEMBL17152017 0.88 RARA (0.34) CYP1A2CYP3A4NR1I3CYP2C9CYP2B6
SCHEMBL18386089 0.88 ENPP1 (0.32) L3MBTL1MAPK1HSD17B10KDM4ETP53
SCHEMBL17152055 0.88 CYP1A2 (0.33) CYP1A2CYP3A4NR1I3CYP2C9CYP2B6
SCHEMBL18463332 0.87 GP6 (0.36) RARARARBRARGGP6L3MBTL1
SCHEMBL26937484 0.87 GP6 (0.36) RARARARBRARGGP6L3MBTL1
SCHEMBL18463318 0.87 GP6 (0.36) RARARARBRARGGP6L3MBTL1
SCHEMBL19754714 0.87 NR1I3 (0.31) CYP1A2CYP3A4NR1I3CYP2C9CYP2B6
SCHEMBL17152061 0.86 CYP1A2 (0.32) CYP1A2CYP3A4NR1I3CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-10381572-B2 Heterocyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2019-08-13 US disclosed
US-20170018718-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-01-19 US disclosed
US-20170018718-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-01-19 US disclosed
WO-2015152651-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2015-10-08 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-10381572-B2 Heterocyclic compound and organic light-emitting element comprising same CRY1, CRY2, PER2 CYP1A2 202/4885CYP3A4 84/4885NR1I3 416/4885
US-20170018718-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 CYP1A2 202/4885CYP3A4 84/4885NR1I3 416/4885

“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.