SCHEMBL3469207

SCHEMBL3469207

COC(=O)c1ccc(C(=C2CC(C)(C)OC(C)(C)C2)c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
CA12 O43570 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
ESR1 P03372 1/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3467621 0.84 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL3469203 0.84 ESR1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL3468043 0.79 ESR1 (0.48) ESR1LMNAALDH1A1GAAMAPT
SCHEMBL3468232 0.78 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL3468161 0.76 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL3468090 0.76 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL3468109 0.76 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL3468865 0.76 ESR1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL3468864 0.76 ESR1 (0.54) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL4440 0.76 CA1 (1.00) CA1CA2CA12CA7CA9

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 CA1 3546/4885CA2 2995/4885CA12 3230/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG CA1 3546/4885CA2 2995/4885CA12 3230/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 CA1 2385/4885CA2 1998/4885CA12 2173/4885

“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.