SCHEMBL401103

SCHEMBL401103

O=C(c1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.59
NR4A2 P43354 3/20 0.58
PTGES O14684 1/20 0.57
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
MAOB P27338 6/20 0.54
PARP10 Q53GL7 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARA Q07869 1/20 0.51
PLA2G4B P0C869 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50

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
SCHEMBL400473 0.86 SRD5A2 (0.66) SRD5A2NR4A2PTGESNR4A1NR4A3
SCHEMBL10784972 0.84 SRD5A2 (0.77) SRD5A2NR4A2NR4A1NR4A3MAOB
SCHEMBL400598 0.80 SRD5A2 (0.61) SRD5A2NR4A2PTGESNR4A1NR4A3
SCHEMBL3232949 0.80 SRD5A2 (0.90) SRD5A2NR4A2PTGESNR4A1NR4A3
SCHEMBL29367263 0.80 CES2 (0.59) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL333382 0.80 CES2 (0.59) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL23888024 0.80 NR4A2 (0.53) SRD5A2NR4A2PTGESNR4A1NR4A3
SCHEMBL30367635 0.80 NR4A2 (0.53) SRD5A2NR4A2PTGESNR4A1NR4A3
SCHEMBL1688036 0.78 FAAH (0.49) MAOBHTTPLA2G4B
SCHEMBL401798 0.78 NR4A2 (0.46) NR4A2NR4A1NR4A3MAOBPARP10

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 9 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
EP-2200994-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-06-30 EP 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 (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 SRD5A2 52/4885NR4A2 94/4885PTGES 588/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA SRD5A2 52/4885NR4A2 94/4885PTGES 588/4885

“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.