SCHEMBL5981271

SCHEMBL5981271

COc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 14/20 0.72
ESR1 P03372 13/20 0.72
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
GRM2 Q14416 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
SCHEMBL5981042 0.86 ESR2 (0.70) ESR2ESR1NPC1TP53MAPK1
SCHEMBL5981008 0.85 ESR1 (0.72) ESR2ESR1
SCHEMBL3925187 0.84 ESR1 (1.00) ESR2ESR1
SCHEMBL3934274 0.82 ESR1 (1.00) ESR2ESR1HSD17B1HSD17B2
SCHEMBL5980138 0.77 ESR1 (0.43) ESR2ESR1NPC1TP53MAPK1
SCHEMBL7944523 0.77 NPC1 (0.52) ESR2NPC1TP53MAPK1CASP3
SCHEMBL19956077 0.75 ESR2 (0.55) ESR2ESR1NPC1TP53MAPK1
SCHEMBL5981371 0.73 ESR1 (0.76) ESR2ESR1
SCHEMBL5981200 0.72 ESR2 (0.73) ESR2ESR1NPC1TP53MAPK1
SCHEMBL5981427 0.71 ESR1 (0.64) ESR2ESR1NPC1TP53MAPK1

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
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 US disclosed
CN-1738788-A Substituted phenylnaphthalenes as estrogenic agents WYETH CORP (US) 2006-02-22 CN 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 ESR2 1/4885ESR1 2/4885NPC1 994/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR2 1/4885ESR1 2/4885NPC1 994/4885

“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.