SCHEMBL9932019

SCHEMBL9932019

O=C(O)N1CCC[C@H]1/C=C\CCCCC(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.31
STAT6 P42226 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9931550 1.00 PEPD (0.31) PEPDSTAT6MEN1KMT2A
SCHEMBL9931548 1.00 PEPD (0.31) PEPDSTAT6MEN1KMT2A
SCHEMBL9931549 1.00 PEPD (0.31) PEPDSTAT6MEN1KMT2A
SCHEMBL9931310 0.97 PEPD (0.32) PEPDSTAT6MEN1KMT2A
SCHEMBL9931312 0.97 PEPD (0.32) PEPDSTAT6MEN1KMT2A
SCHEMBL9931313 0.97 PEPD (0.32) PEPDSTAT6MEN1KMT2A
SCHEMBL9972607 0.83 HSD17B10 (0.37) MEN1KMT2A
SCHEMBL9972620 0.81 HSD17B10 (0.38) MEN1KMT2A
SCHEMBL9931264 0.73 POLB (0.36) PEPDMEN1KMT2A
SCHEMBL9931266 0.73 POLB (0.36) PEPDMEN1KMT2A

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-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 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-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes CYP19A1, HSD17B11, CYP17A1 PEPD 1220/4885STAT6 4862/4885MEN1 1610/4885

“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.