SCHEMBL21213632

SCHEMBL21213632

c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
DHODH Q02127 2/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPY5R Q15761 1/20 0.38
POLB P06746 1/20 0.37
PDE10A Q9Y233 2/20 0.37
TERT O14746 1/20 0.37

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
SCHEMBL19507463 0.97 ESR1 (0.44) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213485 0.94 PIK3R1 (0.41) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213548 0.94 PIK3R1 (0.41) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21716925 0.93 ESR1 (0.37) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21716784 0.93 ESR1 (0.37) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213432 0.92 TUBB4A (0.40) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21924445 0.92 CASP1 (0.41) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL26154863 0.91 KDM4E (0.44) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213505 0.91 ESR1 (0.37) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213715 0.91 ESR1 (0.37) ESR1ESR2HSD17B10CASP1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 US disclosed
WO-2021251661-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-12-16 WO disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 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 (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-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP3A4 ESR1 424/4885ESR2 1690/4885HSD17B10 581/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 ESR1 424/4885ESR2 1690/4885HSD17B10 581/4885

“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.