SCHEMBL400598

SCHEMBL400598

O=C(c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.61
NR4A2 P43354 3/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 2/20 0.57
CASP3 P42574 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
PTGES O14684 1/20 0.55
MAOB P27338 3/20 0.55
PARP10 Q53GL7 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PLA2G4B P0C869 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HRH2 P25021 1/20 0.49

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 0.90 SRD5A2 (0.66) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL3232949 0.81 SRD5A2 (0.90) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL4000884 0.80 PTGES (0.71) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL401103 0.80 SRD5A2 (0.59) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL10784972 0.80 SRD5A2 (0.77) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL1687990 0.80 HRH2 (0.64) L3MBTL1PLA2G4BHRH2HRH1
SCHEMBL402300 0.79 SRD5A2 (0.87) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL7914507 0.79 SRD5A2 (0.66) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL7480033 0.79 SRD5A2 (0.66) SRD5A2NR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL809731 0.79 CES2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1

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 94/4885NR4A1 144/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA SRD5A2 52/4885NR4A2 94/4885NR4A1 144/4885

“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.