SCHEMBL1628868

SCHEMBL1628868

COc1ccc(C23CCC(F)(F)CC2Oc2cccc(F)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
HPSE Q9Y251 2/20 0.36
KDM1A O60341 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SIGMAR1 Q99720 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 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
SCHEMBL1629221 0.87 MAOB (0.39) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL1630531 0.84 ESR1 (0.33) OPRM1
SCHEMBL1630014 0.82 HPSE (0.42) MAOBMAOAHPSESLC6A4SLC6A3
SCHEMBL13884981 0.82 MAOB (0.39) MAOBMAOAHPSEKDM1AOPRM1
SCHEMBL1629265 0.79 ESR1 (0.31)
SCHEMBL13884976 0.78 MAOB (0.39) MAOBMAOAKDM1ASIGMAR1NPC1
SCHEMBL1629220 0.78 MAOB (0.39) MAOBMAOASIGMAR1MAPTKCNH2
SCHEMBL1629091 0.75 MAOB (0.39) MAOBMAOAKDM1ASIGMAR1MAPT
SCHEMBL1628976 0.75 MAOB (0.39) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL1629344 0.74 RXRA (0.34)

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 14 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
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 MAOB 2785/4885MAOA 2873/4885HPSE 2585/4885
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA MAOB 685/4885MAOA 792/4885HPSE 1800/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 MAOB 2785/4885MAOA 2873/4885HPSE 2585/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA MAOB 685/4885MAOA 792/4885HPSE 1800/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 MAOB 2785/4885MAOA 2873/4885HPSE 2585/4885

“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.