SCHEMBL1628872

SCHEMBL1628872

Oc1ccc(C23CCCCCC2Oc2cccc(Cl)c23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.43
NR4A2 P43354 3/20 0.36
SLC6A3 Q01959 6/20 0.34
SLC6A4 P31645 5/20 0.34
DHFR P00374 2/20 0.34
HDAC4 P56524 1/20 0.32
REN P00797 2/20 0.31
CYP3A4 P08684 2/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A2 P23975 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL1628871 0.90 RXRA (0.45) RXRANR4A2DHFR
SCHEMBL15061018 0.87 RXRA (0.46) RXRANR4A2SLC6A3SLC6A4DHFR
SCHEMBL1628876 0.85 DHFR (0.33) RXRASLC6A3SLC6A4DHFRREN
SCHEMBL1629092 0.83 DHFR (0.35) RXRADHFRRENCYP3A4KCNH2
SCHEMBL401350 0.77 RXRA (0.41) RXRANR4A2
SCHEMBL1629155 0.76 RXRA (0.41) RXRANR4A2SLC6A3SLC6A4SLC6A2
SCHEMBL398267 0.76 RXRA (0.41) RXRANR4A2
SCHEMBL1629344 0.75 RXRA (0.34) RXRADHFR
SCHEMBL1630425 0.73 DHFR (0.33) RXRADHFR
SCHEMBL22882302 0.72 RXRA (0.32) RXRA

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-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 (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 RXRA 181/4885NR4A2 14/4885SLC6A3 1857/4885
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885SLC6A3 1425/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 RXRA 181/4885NR4A2 14/4885SLC6A3 1857/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885SLC6A3 1425/4885

“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.