SCHEMBL3468200

SCHEMBL3468200

CC1(C)CC(=C(c2ccc(OCC#N)cc2)c2ccc(OCC#N)cc2)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR2 Q92731 2/20 0.34
ALDH2 P05091 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MAPT P10636 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PSMB1 P20618 2/20 0.33
PSMB5 P28074 2/20 0.33
PSMB2 P49721 2/20 0.33
PGR P06401 1/20 0.31

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
SCHEMBL3467850 0.95 ESR1 (0.40) ESR1KDM4EALDH1A1ESR2ALDH2
SCHEMBL3068903 0.94 PLA2G7 (0.38) ESR1KDM4EALDH1A1ESR2ALDH2
SCHEMBL3080491 0.80 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTRXRARXRB
SCHEMBL3468549 0.79 USP2 (0.41) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4674952 0.78 HPGD (0.33) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL4674950 0.76 POLB (0.34) ALDH1A1SMN1; SMN2MAPTRXRARXRB
SCHEMBL3468068 0.76 PSMB1 (0.55) ESR1KDM4EALDH1A1ESR2ALDH2
SCHEMBL3081636 0.75 GAA (0.52) ESR1ALDH1A1ESR2GAAL3MBTL1
SCHEMBL3468515 0.75 CYP19A1 (0.46) ESR1ALDH1A1ESR2GAAPSMB1
SCHEMBL3076991 0.74 ALOX15 (0.49) ESR1ALDH1A1SMN1; SMN2MAPTADORA3

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 ESR1 4/4885KDM4E 1543/4885ALDH1A1 1585/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ESR1 4/4885KDM4E 1543/4885ALDH1A1 1585/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885KDM4E 1738/4885ALDH1A1 1064/4885

“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.