SCHEMBL19862787

SCHEMBL19862787

CC(C)(C)c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.58
RXRB P28702 3/20 0.58
KIF11 P52732 2/20 0.56
ABCG2 Q9UNQ0 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
RXRG P48443 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NTSR1 P30989 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL19735241 1.00 RXRA (0.58) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL20089426 0.97 RXRA (0.59) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL16520904 0.96 ABCG2 (0.55) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL23843786 0.96 ABCG2 (0.55) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL20089431 0.95 KIF11 (0.59) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL20089423 0.95 KIF11 (0.59) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL18326878 0.91 KIF11 (0.54) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL25877821 0.90 ABCG2 (0.50) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL25823095 0.90 RXRB (0.51) RXRARXRBKIF11ABCG2L3MBTL1
SCHEMBL30448330 0.88 RXRB (0.54) RXRARXRBKIF11ABCG2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-11011708-B2 Electron transport layer stack for an organic light-emitting diode NOVALED GMBH (DE) 2021-05-18 US disclosed
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 US disclosed
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode NOVALED GMBH (DE) 2018-04-26 US disclosed
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode NOVALED GMBH (DE) 2018-04-26 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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 (8 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-11011708-B2 Electron transport layer stack for an organic light-emitting diode SLCO4C1, SLC7A5, OCIAD1 RXRA 4088/4885RXRB 4168/4885KIF11 1258/4885
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 RXRA 238/4885RXRB 496/4885KIF11 2816/4885
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode SLCO4C1, SLC7A5, OCIAD1 RXRA 4088/4885RXRB 4168/4885KIF11 1258/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG RXRA 200/4885RXRB 338/4885KIF11 1271/4885
US-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 RXRA 91/4885RXRB 170/4885KIF11 2158/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 RXRA 238/4885RXRB 496/4885KIF11 2816/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG RXRA 200/4885RXRB 338/4885KIF11 1271/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG RXRA 490/4885RXRB 656/4885KIF11 925/4885

“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.