SCHEMBL1629557

SCHEMBL1629557

Cc1ccc2c(c1)OC1CC(F)(F)CCCC21c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.38
NR4A2 P43354 3/20 0.38
OPRK1 P41145 4/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PKM P14618 1/20 0.30
CNR1 P21554 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL1630031 0.94 RXRA (0.35) RXRANR4A2OPRK1OPRM1OPRD1
SCHEMBL13884934 0.87 RXRA (0.36) RXRANR4A2OPRK1OPRM1OPRD1
SCHEMBL1631591 0.85 OPRM1 (0.37) RXRANR4A2OPRK1OPRM1OPRD1
SCHEMBL13884978 0.81 AKR1B1 (0.36) RXRANR4A2OPRK1OPRM1OPRD1
SCHEMBL1629091 0.81 MAOB (0.39) RXRANR4A2
SCHEMBL13884980 0.80 AKR1B1 (0.36) RXRANR4A2ESR1ESR2
SCHEMBL15061032 0.78 ESR1 (0.31) ESR1ESR2
SCHEMBL1629201 0.77 CNR1 (0.33) RXRAOPRK1OPRM1OPRD1ESR1
SCHEMBL1630029 0.77 ALOX5AP (0.36) OPRK1OPRM1OPRD1ESR1ESR2
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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 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-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 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 94/4885OPRK1 59/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 RXRA 181/4885NR4A2 14/4885OPRK1 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.