SCHEMBL21066254

SCHEMBL21066254

CC(C)N1CCC(c2ccc(/C(=C(/CCC(=O)O)c3ccccc3)c3cccc(O)c3)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 20/20 0.81
▸ ESRRB O95718 7/20 0.73
▸ ESR1 P03372 7/20 0.68
▸ KCNH2 Q12809 5/20 0.60

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
SCHEMBL20842220 0.90 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL24354524 0.90 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL20842018 0.84 ESRRG (1.00) ESRRGESRRBESR1KCNH2
SCHEMBL24354541 0.84 ESRRG (0.66) ESRRGESRRBESR1KCNH2
SCHEMBL21026585 0.84 ESRRG (0.80) ESRRGESRRBESR1KCNH2
SCHEMBL20842043 0.82 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL24688801 0.77 ESRRG (0.68) ESRRGESRRBESR1KCNH2
SCHEMBL21026512 0.77 ESRRG (0.87) ESRRGESRRBESR1KCNH2
SCHEMBL24354490 0.76 ESRRG (0.79) ESRRGESRRBESR1KCNH2
SCHEMBL20842108 0.76 ESRRG (0.79) ESRRGESRRBESR1KCNH2

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-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HWANG SUNG YEOUN (KR) 2019-06-06 — — 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-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 ESRRG 1/4885ESRRB 5/4885ESR1 3/4885

“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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