SCHEMBL17152017

SCHEMBL17152017

CC1(C)c2ccccc2-c2cccc(-c3c(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)c4ccccc4c4ccccc34)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
NR1I3 Q14994 4/20 0.32
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 0.32
AHR P35869 2/20 0.32
VDR P11473 1/20 0.32
PDK2 Q15119 2/20 0.32
GP6 Q9HCN6 1/20 0.31
PDE10A Q9Y233 1/20 0.31
POLB P06746 1/20 0.31
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
IP6K2 Q9UHH9 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2D6 P10635 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL17152006 0.93 L3MBTL1 (0.35) RARARARBRARGCYP1A2CYP3A4
SCHEMBL17151883 0.92 L3MBTL1 (0.37) PDE10APOLBL3MBTL1KDM4EMEN1
SCHEMBL17152015 0.88 CYP1A2 (0.32) RARARARBRARGNR1I3CYP1A2
SCHEMBL18386087 0.88 RARB (0.32) RARBRARGL3MBTL1KDM4ETP53
SCHEMBL17152056 0.87 NR1I3 (0.34) RARARARBRARGNR1I3CYP1A2
SCHEMBL24647175 0.86 PGR (0.32)
SCHEMBL17152064 0.86 PDK2 (0.36) RARARARBRARGNR1I3CYP1A2
SCHEMBL17152019 0.86 RARB (0.35) RARARARBRARGNR1I3CYP1A2
SCHEMBL17151998 0.86 PDK2 (0.38) RARARARBRARGPDK2
SCHEMBL17152038 0.86 DNMT1 (0.34) RARARARBRARGNR1I3CYP1A2

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 RARA 162/4885RARB 350/4885RARG 190/4885
US-20170018718-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 RARA 162/4885RARB 350/4885RARG 190/4885

“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.