SCHEMBL1629342

SCHEMBL1629342

Oc1ccc(C23CCCC(F)(F)CC2Oc2c(Cl)cccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.34
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL1688035 0.94 AKR1B1 (0.36) AKR1B1OPRM1OPRD1OPRK1
SCHEMBL13884933 0.87 OPRK1 (0.31) ESR1ESR2OPRM1OPRD1OPRK1
SCHEMBL1629201 0.86 CNR1 (0.33) ESR1ESR2OPRM1OPRD1OPRK1
SCHEMBL1628875 0.83 AKR1B1 (0.33) AKR1B1ESR1ESR2SLC6A4SLC6A3
SCHEMBL15436427 0.82 AKR1B1 (0.36) AKR1B1
SCHEMBL13884977 0.81 OPRK1 (0.33) ESR1ESR2OPRM1OPRD1OPRK1
SCHEMBL1629399 0.80 CNR1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL15436356 0.77
SCHEMBL1629185 0.76 AKR1B1 (0.34) AKR1B1ESR1ESR2
SCHEMBL1629265 0.74 ESR1 (0.31) ESR1ESR2

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
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
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
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 (4 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 817/4885ESR1 3/4885ESR2 1/4885
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA AKR1B1 432/4885ESR1 6/4885ESR2 2/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 AKR1B1 817/4885ESR1 3/4885ESR2 1/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 AKR1B1 817/4885ESR1 3/4885ESR2 1/4885

“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.