SCHEMBL1629397

SCHEMBL1629397

Oc1ccc(C23CCC(F)(F)CC2Oc2ccc(Cl)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
OPRM1 P35372 9/20 0.34
OPRK1 P41145 8/20 0.34
OPRD1 P41143 6/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
RXRA P19793 3/20 0.33
NR4A2 P43354 2/20 0.33

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
SCHEMBL13884980 0.90 AKR1B1 (0.36) AKR1B1ESR1ESR2RXRANR4A2
SCHEMBL1629396 0.86 OPRK1 (0.37) AKR1B1OPRM1OPRK1OPRD1ESR1
SCHEMBL1631591 0.85 OPRM1 (0.37) AKR1B1OPRM1OPRK1OPRD1RXRA
SCHEMBL1630029 0.82 ALOX5AP (0.36) OPRM1OPRK1OPRD1ESR1ESR2
SCHEMBL13884978 0.79 AKR1B1 (0.36) AKR1B1OPRM1OPRK1OPRD1ESR1
SCHEMBL1630031 0.78 RXRA (0.35) OPRM1OPRK1OPRD1ESR1ESR2
SCHEMBL1629185 0.77 AKR1B1 (0.34) AKR1B1ESR1ESR2
SCHEMBL1688035 0.76 AKR1B1 (0.36) AKR1B1OPRM1OPRK1OPRD1
SCHEMBL1628924 0.74 RXRA (0.37) AKR1B1OPRM1OPRK1OPRD1RXRA
SCHEMBL13884934 0.74 RXRA (0.36) AKR1B1OPRM1OPRK1OPRD1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008002-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-01 US disclosed
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
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-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
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 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 (5 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-20210008002-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 AKR1B1 817/4885OPRM1 347/4885OPRK1 287/4885
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA AKR1B1 432/4885OPRM1 103/4885OPRK1 59/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 AKR1B1 817/4885OPRM1 347/4885OPRK1 287/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA AKR1B1 432/4885OPRM1 103/4885OPRK1 59/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 AKR1B1 817/4885OPRM1 347/4885OPRK1 287/4885

“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.