SCHEMBL3727032

SCHEMBL3727032

O=C1C=C(c2cc(F)c(O)cc2F)C2CCCC12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL3727399 0.87 PPOX (0.33)
SCHEMBL3688814 0.81 ESR1 (0.39) ESR1ESR2
SCHEMBL3680437 0.78 HSD17B1 (0.44) ESR1ESR2HSD17B1HSD17B2
SCHEMBL3727418 0.77
SCHEMBL3722224 0.76 AR (0.33) HSD17B1
SCHEMBL3726004 0.76 AR (0.33) HSD17B1
SCHEMBL3726807 0.76 AR (0.33) HSD17B1
SCHEMBL3723555 0.75 ESR1 (0.30) ESR1ESR2
SCHEMBL3683807 0.75 RPS6KA3 (0.30) ESR1ESR2
SCHEMBL3726783 0.72 PPOX (0.30)

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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 ESR1 1/4885ESR2 3/4885HSD17B1 265/4885

“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.