SCHEMBL21029507

SCHEMBL21029507

N#Cc1ccc(OC2CCC2)cc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.45
▸ AR P10275 7/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.40
▸ PDK2 Q15119 3/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ ACACB O00763 1/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ KCNJ1 P48048 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL31498643 0.88 PGR (0.45) PGRAREPHX2S1PR1KCNJ1
SCHEMBL19833654 0.85 PGR (0.39) PGRARFFAR4EPHX2S1PR1
SCHEMBL19833661 0.85 PGR (0.39) PGRARFFAR4EPHX2S1PR1
SCHEMBL19833670 0.84 PGR (0.38) PGRARKCNJ1KCNH2
SCHEMBL3197384 0.80 AR (0.66) PGRAR
SCHEMBL3200817 0.77 AR (0.70) PGRAR
SCHEMBL21028817 0.77 AR (0.37) PGRARKCNJ1KCNH2
SCHEMBL31515461 0.77 EPHX2 (0.48) PGRAREPHX2
SCHEMBL1980445 0.76 AR (0.51) PGRAR
SCHEMBL3186123 0.76 AR (0.68) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934278-B2 Compounds AUTIFONY THERAPEUTICS LIMITED (GB) 2021-03-02 — — US disclosed
EP-3490977-B1 CYCLOBUTANE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED POTASSIUM CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2020-11-25 — — EP disclosed
US-20190161479-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2019-05-30 — — 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 (2 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-10934278-B2 Compounds KCNA3, KCNN3, KCND3 PGR 3901/4885AR 3581/4885FFAR4 929/4885
US-20190161479-A1 NOVEL COMPOUNDS KCNN3, KCNA3, KCND3 PGR 4302/4885AR 4286/4885FFAR4 973/4885

“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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