SCHEMBL3468068

SCHEMBL3468068

N#CCOc1ccc(C(=C2CCCCCC2)c2ccc(OCC#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.55
PSMB5 P28074 2/20 0.55
PSMB2 P49721 2/20 0.55
ESR1 P03372 7/20 0.52
ESR2 Q92731 6/20 0.52
PGR P06401 1/20 0.50
CHRM2 P08172 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
AR P10275 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH2 P05091 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3468860 0.94 ESR1 (0.56) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL3468200 0.76 ESR1 (0.34) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL3468131 0.75 ESR1 (0.51) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL3468471 0.72 ESR1 (0.66) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL3467850 0.72 ESR1 (0.40) ESR1ESR2ALDH1A1CYP19A1KDM4E
SCHEMBL8845652 0.72 ESR1 (0.64) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL3068903 0.71 PLA2G7 (0.38) ESR1ESR2ARMAOBALDH1A1
SCHEMBL30172106 0.70 PKM (0.56) ALDH1A1SMN1; SMN2HSD17B10L3MBTL1RAB9A
SCHEMBL3468099 0.70 CA2 (0.55) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL4728319 0.70 LMNA (0.63) PSMB1PSMB5PSMB2ESR1ESR2

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
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 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 (3 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG PSMB1 2386/4885PSMB5 1164/4885PSMB2 1558/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG PSMB1 2386/4885PSMB5 1164/4885PSMB2 1558/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 PSMB1 3546/4885PSMB5 1888/4885PSMB2 2601/4885

“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.