SCHEMBL3468085

SCHEMBL3468085

COc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.54
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
LIMK2 P53671 1/20 0.50
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
EGFR P00533 1/20 0.48
FGFR1 P11362 1/20 0.48
KDR P35968 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL3468101 0.87 UQCRB (0.51) LMNAGAAALDH1A1SMN1; SMN2PKM
SCHEMBL3468296 0.85 LMNA (0.50) PGRLMNAALOX15GAAALDH1A1
SCHEMBL4662975 0.79 PGR (0.82) PGRLMNAGAAALDH1A1MAPK1
SCHEMBL3468159 0.78 PGR (0.68) PGRLMNAUSP2ALOX15LIMK2
SCHEMBL29031235 0.78 PGR (0.85) PGRLMNAGAAALDH1A1MAPK1
SCHEMBL3468348 0.76 MAPT (0.52) LMNAALOX15ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10954094 0.75 PGR (0.75) PGRLMNAGAAALDH1A1MAPK1
SCHEMBL812663 0.73 PGR (0.82) PGRLMNAGAAALDH1A1MAPK1
SCHEMBL12010894 0.73 PGR (0.68) PGRLMNAGAAALDH1A1MAPK1
SCHEMBL8227909 0.73 GFER (0.72) PGRLMNALIMK2GAAALDH1A1

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
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
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 PGR 10/4885LMNA 4708/4885USP2 1618/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG PGR 10/4885LMNA 4708/4885USP2 1618/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 PGR 10/4885LMNA 4504/4885USP2 3014/4885

“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.