SCHEMBL5981371

SCHEMBL5981371

COc1ccc(-c2cc(C#N)c3c(Cl)c(O)ccc3c2)cc1F

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.76
ESR2 Q92731 14/20 0.76
XDH P47989 1/20 0.42
ERN1 O75460 1/20 0.41
MGLL Q99685 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL3924361 0.87 ESR1 (1.00) ESR1ESR2
SCHEMBL5981008 0.87 ESR1 (0.72) ESR1ESR2ERN1MGLLPDGFRB
SCHEMBL5980256 0.78 ESR1 (0.71) ESR1ESR2ERN1MGLLPDGFRB
SCHEMBL5980965 0.78 ESR1 (0.71) ESR1ESR2XDHERN1
SCHEMBL3926540 0.78 ESR1 (1.00) ESR1ESR2
SCHEMBL27647571 0.76 ESR1 (0.52) ESR1ESR2ERN1MGLLPDGFRB
SCHEMBL3958458 0.74 ESR1 (0.52) ESR1ESR2XDHPDGFRBPDGFRA
SCHEMBL27627364 0.73 ESR1 (0.48) ESR1ESR2XDHERN1PDGFRB
SCHEMBL5981271 0.73 ESR2 (0.72) ESR1ESR2
SCHEMBL19270951 0.72 MGLL (0.52) ESR1ESR2ERN1MGLLPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 US disclosed
US-6914074-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2005-07-05 US disclosed
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents MEWSHAW RICHARD E (US) 2004-11-11 US disclosed
EP-1453782-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP disclosed
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents WYETH 2003-09-25 US disclosed
WO-2003051805-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 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 (2 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-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR1 2/4885ESR2 1/4885XDH 3948/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR1 2/4885ESR2 1/4885XDH 3948/4885

“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.