SCHEMBL21076148

SCHEMBL21076148

Clc1ccc(-c2ccc3ccccc3c2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.64
CYP1B1 Q16678 1/20 0.54
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
ALOX5 P09917 1/20 0.52
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
CYP2A6 P11509 1/20 0.50
GSTP1 P09211 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
FTO Q9C0B1 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL29025333 0.87 ALDH1A1 (0.52) AHRCYP1B1ESR1ESR2ALOX5
SCHEMBL24307501 0.87 AHR (0.48) AHRCYP1B1ESR1ESR2ALOX5
SCHEMBL29610801 0.87 AHR (0.48) AHRCYP1B1ESR1ESR2ALOX5
SCHEMBL29458373 0.83 ESR1 (0.58) AHRESR1ESR2ALOX5HSD17B1
SCHEMBL24311979 0.83 ESR1 (0.58) AHRESR1ESR2ALOX5HSD17B1
SCHEMBL15902840 0.83 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239993 0.83 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL239121 0.83 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL5013872 0.83 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239998 0.83 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2

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-20190173014-A1 BENZODIAZABOROLE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME YUAN ZE UNIVERSITY (TW) 2019-06-06 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-20190173014-A1 BENZODIAZABOROLE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME CBR3, GLB1, MRPL19 AHR 816/4885CYP1B1 33/4885ESR1 845/4885

“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.