SCHEMBL10071627

SCHEMBL10071627

CCCCOc1ccc(C(=C2CCCCC2)c2cc(F)ccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
ESR2 Q92731 3/20 0.47
PSMB1 P20618 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB2 P49721 2/20 0.46
RXRA P19793 2/20 0.43
FAAH O00519 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL1688030 0.85 ESR1 (0.49) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1688048 0.84 OPRM1 (0.47) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL401798 0.81 NR4A2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1687991 0.81 ESR1 (0.47) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1629223 0.79 CES2 (0.39) ESR1RXRAALDH1A1MAPTCHRM2
SCHEMBL1688036 0.77 FAAH (0.49) FAAHTP53TSHR
SCHEMBL1772345 0.71 TP53 (0.48) FAAHTP53HRH2HRH1TSHR
SCHEMBL400549 0.68 NPC1 (0.48) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL15061022 0.68 PLA2G4A (0.51) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4270834 0.67 TSHR (0.64) FAAHALDH1A1HPGDSMN1; SMN2TP53

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 6 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-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 ESR1 6/4885ESR2 2/4885PSMB1 2796/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA ESR1 6/4885ESR2 2/4885PSMB1 2796/4885

“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.