SCHEMBL3468564

SCHEMBL3468564

COC(=O)c1ccc(C(=O)c2ccc(O)c(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA7 P43166 2/20 0.56
XDH P47989 2/20 0.56
ACHE P22303 1/20 0.52
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50

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
SCHEMBL199239 0.90 CA1 (0.69) CA1CA2CA12CA9CA14
SCHEMBL27661242 0.84 HSD17B1 (0.59) ACHEKDM4ELMNAHSD17B1HSD17B2
SCHEMBL29748711 0.84 HSD17B1 (0.59) ACHEKDM4ELMNAHSD17B1HSD17B2
SCHEMBL3468486 0.82 LMNA (0.63) CA1CA2ACHEMEN1MAPT
SCHEMBL10421921 0.81 CA1 (0.58) CA1CA2CA12CA9CA14
SCHEMBL13799334 0.81 XDH (0.71) CA1CA2CA12CA9CA14
SCHEMBL10421110 0.80 SLC22A6 (0.80) CA1CA2CA12CA9CA14
SCHEMBL2337244 0.80 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL3468841 0.79 KDM4E (0.68) CA1CA2CA12CA9CA14
SCHEMBL9428615 0.79 ACHE (0.66) ACHEMEN1MAPTKMT2AKDM4E

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 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.