SCHEMBL4965710

SCHEMBL4965710

Oc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCCCSCCCC(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 18/20 0.55
▸ ESR2 Q92731 17/20 0.55
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL4965002 0.95 ESR1 (0.50) ESR1ESR2MGAMGAASI
SCHEMBL4965999 0.85 ESR1 (0.53) ESR1ESR2
SCHEMBL4966004 0.83 MAPT (0.40) ESR1ESR2HDAC1HDAC2MGAM
SCHEMBL4965974 0.81 ESR1 (0.49) ESR1ESR2GAA
SCHEMBL4965276 0.78 HDAC1 (0.36) ESR1ESR2HDAC1HDAC2MGAM
SCHEMBL10597263 0.73 ESR1 (0.37) ESR1ESR2
SCHEMBL7589490 0.72 ESR1 (0.47) ESR1ESR2
SCHEMBL5851908 0.72 ESR1 (0.54) ESR1ESR2
SCHEMBL4966676 0.72 HDAC1 (0.36) ESR1ESR2HDAC1HDAC2
SCHEMBL10597919 0.72 CDK4 (0.36) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641774-B1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-09-03 — — EP claimed
US-20070054956-A1 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ELI LILLY AND COMPANY 2007-03-08 — — US claimed
EP-1641774-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-04-05 — — EP claimed
WO-2005000834-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO claimed
US-7462647-B2 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ELI LILLY AND COMPANY (US) 2008-12-09 — — US disclosed
EP-1641774-B1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-09-03 — — EP disclosed
US-20070054956-A1 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ELI LILLY AND COMPANY 2007-03-08 — — US disclosed
EP-1641774-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-04-05 — — EP disclosed
WO-2005000834-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO 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-20070054956-A1 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885HDAC1 2510/4885

“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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