SCHEMBL400339

SCHEMBL400339

O=C1CCCCCC1(c1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.49
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
BACE1 P56817 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTPN1 P18031 2/20 0.38
HPD P32754 1/20 0.38

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
SCHEMBL398339 0.89 RORC (0.47) RORCMAOAMAOBMAPTKDM1A
SCHEMBL402395 0.88 RORC (0.48) RORCMAOAMAOBMAPTKDM1A
SCHEMBL401955 0.84 RORC (0.45) RORCMAOAMAOBMAPTKDM1A
SCHEMBL402382 0.84 RORC (0.48) RORCMAOAMAOBMAPTMMP2
SCHEMBL1630834 0.78 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL401294 0.77 RORC (0.46) RORCMAOAMAOBBACE1PSEN1
SCHEMBL1688051 0.74 KMT2A (0.47)
SCHEMBL1688045 0.73 KMT2A (0.48)
SCHEMBL401285 0.70 HDAC4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL401446 0.69 HDAC4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 RORC 315/4885MAOA 792/4885MAOB 685/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RORC 315/4885MAOA 792/4885MAOB 685/4885

“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.