SCHEMBL25914755

SCHEMBL25914755

CCc1cccc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.53
▸ PTGS2 P35354 1/20 0.47
▸ IDO1 P14902 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ NISCH Q9Y2I1 1/20 0.42
▸ AGXT P21549 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ HSD17B1 P14061 3/20 0.41
▸ HSD17B2 P37059 3/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ GRIN2B Q13224 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MME P08473 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
SCHEMBL13099750 0.85 BCL2 (0.50) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL24180478 0.85 BCL2 (0.50) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL19301066 0.84 CYP17A1 (0.46) BCL2PTGS2CYP17A1CYP11B1CYP11B2
SCHEMBL9287764 0.84 BCL2 (0.49) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL29489424 0.83 BCL2 (0.62) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL5547358 0.83 BCL2 (0.62) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL13197413 0.82 AGXT (0.61) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL12154152 0.82 CYP17A1 (0.56) BCL2CYP17A1CYP11B1CYP11B2NOTUM
SCHEMBL16258028 0.82 CYP17A1 (0.56) BCL2CYP17A1CYP11B1CYP11B2NOTUM
SCHEMBL16258055 0.82 CYP17A1 (0.56) BCL2CYP17A1CYP11B1CYP11B2NOTUM

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 — — 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 (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-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC BCL2 2274/4885PTGS2 887/4885IDO1 2995/4885

“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.

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