SCHEMBL17449601

SCHEMBL17449601

Cc1cc(C)c(B(c2ccccc2)c2ccc(-c3ccc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)s4)s3)s2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL1309487 0.89 ESR2 (0.36) HSD17B1HSD17B2ESR2
SCHEMBL418657 0.87 RAPGEF4 (0.33) HSD17B1HSD17B2ESR2
SCHEMBL1309857 0.79 HSD17B1 (0.41) HSD17B1HSD17B2ESR2
SCHEMBL18807405 0.79 RAPGEF4 (0.31) HSD17B1HSD17B2ESR2
SCHEMBL17880693 0.79 HSD17B1 (0.30) HSD17B1HSD17B2ESR2
SCHEMBL24820988 0.78 FFAR4 (0.46) FFAR4
SCHEMBL7908988 0.78 FFAR4 (0.46) FFAR4
SCHEMBL127327 0.78 RAPGEF4 (0.37) FFAR4
SCHEMBL16722869 0.75 RAPGEF4 (0.38) FFAR4
SCHEMBL7458913 0.75 FFAR4 (0.43) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160020402-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE KYULUX, INC. (JP) 2016-01-21 US disclosed
US-20160020402-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE KYULUX, INC. (JP) 2016-01-21 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-20160020402-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE ARL1, CRY1, NR2E3 FFAR4 3678/4885HSD17B1 1758/4885HSD17B2 1631/4885

“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.