SCHEMBL3468296

SCHEMBL3468296

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PGR P06401 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
UBE2N P61088 1/20 0.39
F10 P00742 1/20 0.39
BCL2 P10415 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
SCHEMBL3468518 0.86 ESR1 (0.45) LMNAGAAMAPK1CA1CA2
SCHEMBL3468085 0.85 PGR (0.54) LMNAGAAMAPK1PGRALDH1A1
SCHEMBL3468348 0.81 MAPT (0.52) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL171658 0.76 LMNA (0.79) LMNAGAAMAPK1CA1CA2
SCHEMBL3468171 0.75 LMNA (0.64) LMNAGAAMAPK1EPHX2CA1
SCHEMBL3468549 0.74 USP2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4668688 0.71 LMNA (0.72) LMNAGAAMAPK1CA1CA2
SCHEMBL3116450 0.71 PGR (0.73) LMNAGAAMAPK1CA1CA2
SCHEMBL3468101 0.71 UQCRB (0.51) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL28082142 0.69 RAB9A (0.73) LMNAGAAMAPK1CA1CA2

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 LMNA 4708/4885GAA 4311/4885MAPK1 3439/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG LMNA 4708/4885GAA 4311/4885MAPK1 3439/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 LMNA 4504/4885GAA 2903/4885MAPK1 2497/4885

“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.