SCHEMBL21924445

SCHEMBL21924445

c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc3ccccc3nc2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 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
SCHEMBL21923700 0.96 CASP1 (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21923648 0.94 MKNK1 (0.46) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21924440 0.94 ESR1 (0.37) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21923654 0.94 ESR1 (0.36) CASP1HSD17B10HRH4ESR1ESR2
SCHEMBL21168909 0.93 CASP1 (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21168835 0.93 CASP1 (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21923539 0.93 ESR1 (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21923536 0.93 ESR1 (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21213632 0.92 ESR1 (0.42) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21923781 0.91 KDM4E (0.35) CASP1HSD17B10HRH4KDM4EALDH1A1

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 CASP1 48/4885HSD17B10 434/4885HRH4 2481/4885

“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.