SCHEMBL398267

SCHEMBL398267

Oc1ccc(C23CCCCC2Oc2cccc(F)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.41
NR4A2 P43354 3/20 0.40
ESR2 Q92731 6/20 0.35
ESR1 P03372 5/20 0.35
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 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
SCHEMBL401350 0.99 RXRA (0.41) RXRANR4A2ESR2ESR1OPRM1
SCHEMBL1628871 0.85 RXRA (0.45) RXRANR4A2ESR2ESR1
SCHEMBL1629265 0.84 ESR1 (0.31) ESR2ESR1
SCHEMBL1630014 0.83 HPSE (0.42) RXRANR4A2
SCHEMBL1630531 0.82 ESR1 (0.33) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL397406 0.81 RXRA (0.41) RXRANR4A2ESR2ESR1OPRM1
SCHEMBL13885429 0.80 RXRA (0.47) RXRANR4A2ESR2ESR1OPRM1
SCHEMBL399111 0.80 RXRA (0.47) RXRANR4A2ESR2ESR1OPRM1
SCHEMBL401112 0.79 RXRA (0.48) RXRANR4A2ESR2ESR1OPRM1
SCHEMBL399985 0.77 ESR2 (0.40) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 EP disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 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 (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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885ESR2 2/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885ESR2 2/4885

“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.