SCHEMBL4965276

SCHEMBL4965276

Oc1ccc(-c2cc3sc(O)cc3cc2Oc2ccc(OCCCCSCCCC(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ LTA4H P09960 2/20 0.32
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ MGAM O43451 7/20 0.31
▸ GAA P10253 7/20 0.31
▸ SI P14410 7/20 0.31
▸ MGAM2 Q2M2H8 7/20 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
SCHEMBL4966676 0.94 HDAC1 (0.36) HDAC1HDAC2ESR1ESR2FFAR4
SCHEMBL4965912 0.86 FFAR4 (0.32) LTA4HESR1ESR2FFAR4MGAM
SCHEMBL4965284 0.80 PTGDR2 (0.34) ESR1ESR2FFAR4
SCHEMBL4965710 0.78 ESR1 (0.55) HDAC1HDAC2ESR1ESR2MGAM
SCHEMBL4965002 0.74 ESR1 (0.50) ESR1ESR2MGAMGAASI
SCHEMBL7589490 0.67 ESR1 (0.47) ESR1ESR2
SCHEMBL5851908 0.67 ESR1 (0.54) ESR1ESR2
SCHEMBL5851970 0.66 ESR1 (0.61) ESR1
SCHEMBL5851880 0.66 ESR1 (0.60) ESR1
SCHEMBL5075157 0.66 ESR1 (0.60) ESR1

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 7 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
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 HDAC1 2510/4885HDAC2 2386/4885LTA4H 2052/4885

“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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