SCHEMBL398475

SCHEMBL398475

Fc1ccc2c(c1)C1(c3ccc(OCc4ccccc4)cc3)CCCCCC1O2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.47
NR4A2 P43354 3/20 0.46
RORC P51449 3/20 0.45
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL401821 0.88 RXRA (0.47) RXRANR4A2RORCCA2CA5A
SCHEMBL400550 0.87 RXRA (0.46) RXRANR4A2RORCCA2CA5A
SCHEMBL15061011 0.84 RXRA (0.46) RXRANR4A2
SCHEMBL400524 0.82 RORC (0.42) RXRANR4A2RORCCA2CA5A
SCHEMBL397092 0.81 RXRA (0.50) RXRANR4A2
SCHEMBL401294 0.79 RORC (0.46) RORCHRH3MAOBMAOAKDM1A
SCHEMBL1632009 0.79 RXRA (0.50) RXRANR4A2MAOB
SCHEMBL398866 0.72 RORC (0.44) RORCHRH3MAOBMAOAKDM1A
SCHEMBL399556 0.71 RORC (0.45) RORCHRH3MAOBKDM1A
SCHEMBL398957 0.70 RORC (0.42) RORCHRH3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 94/4885RORC 315/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885RORC 315/4885

“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.