SCHEMBL29587701

SCHEMBL29587701

CC(C)Oc1ccc(F)c(-c2cc(C#N)c(Cl)cc2O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
FFAR4 Q5NUL3 11/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
TRPV3 Q8NET8 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
SCHEMBL18617427 1.00 CYP11B1 (0.42) CYP11B1CYP11B2FFAR4CNR1CNR2
SCHEMBL18587952 0.81 FFAR4 (0.39) FFAR4CNR1CNR2
SCHEMBL29587648 0.81 FFAR4 (0.39) FFAR4CNR1CNR2
SCHEMBL18617452 0.81 ESR1 (0.40) CYP11B2CNR1CNR2
SCHEMBL29588509 0.81 ESR1 (0.40) CYP11B2CNR1CNR2
SCHEMBL18617502 0.79 FFAR4 (0.42) FFAR4TRPV3
SCHEMBL29588051 0.79 PGR (0.46) FFAR4
SCHEMBL18617451 0.79 PGR (0.46) FFAR4
SCHEMBL18617449 0.78 CA3 (0.40) CYP11B2CNR1CNR2
SCHEMBL29587766 0.78 CA3 (0.40) CYP11B2CNR1CNR2

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-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 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-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CYP11B1 225/4885CYP11B2 419/4885FFAR4 2934/4885

“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.