SCHEMBL21923536

SCHEMBL21923536

c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc3ccccc3nc2-c2ccc3ccc4ccccc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
DHODH Q02127 2/20 0.34
KCNMA1 Q12791 1/20 0.34
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
FGFR1 P11362 1/20 0.33
PDE10A Q9Y233 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPY5R Q15761 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL21923538 0.95 ESR1 (0.37) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21924440 0.94 ESR1 (0.37) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21923539 0.93 ESR1 (0.39) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21924445 0.93 CASP1 (0.41) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21923700 0.92 CASP1 (0.39) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213367 0.91 ALDH1A1 (0.38) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21923807 0.91 HTR2B (0.34) ESR1ESR2HSD17B10ALDH1A1HIF1A
SCHEMBL21923780 0.91 ESR1 (0.33) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21923654 0.89 ESR1 (0.36) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21213632 0.88 ESR1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-04-30 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 (1 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-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP1A1 ESR1 270/4885ESR2 1415/4885HSD17B10 434/4885

“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.