SCHEMBL3468841

SCHEMBL3468841

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
LMNA P02545 1/20 0.68
HSD17B10 Q99714 1/20 0.68
SRD5A2 P31213 8/20 0.58
ACHE P22303 1/20 0.57
HSD17B1 P14061 3/20 0.55
HSD17B2 P37059 3/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
PTGS2 P35354 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
L3MBTL1 Q9Y468 1/20 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
SCHEMBL29748711 0.90 HSD17B1 (0.59) KDM4ELMNAHSD17B10ACHEHSD17B1
SCHEMBL27661242 0.90 HSD17B1 (0.59) KDM4ELMNAHSD17B10ACHEHSD17B1
SCHEMBL9428615 0.89 ACHE (0.66) KDM4ELMNAHSD17B10SRD5A2ACHE
SCHEMBL30574898 0.88 KDM4E (0.71) KDM4ELMNAHSD17B10ACHECA12
SCHEMBL226720 0.88 KDM4E (0.71) KDM4ELMNAHSD17B10ACHECA12
Water SCHEMBL4310345 0.86 KDM4E (0.69) KDM4ELMNAHSD17B10ACHEHSD17B1
SCHEMBL3468505 0.83 HSD17B1 (0.58) KDM4ELMNAHSD17B10ACHEHSD17B1
SCHEMBL9437164 0.81 KDM4E (1.00) KDM4ELMNAHSD17B10HSD17B1HSD17B2
SCHEMBL3468564 0.79 CA1 (0.56) KDM4ELMNAHSD17B10ACHEHSD17B1
SCHEMBL8050262 0.79 P4HB (0.63) KDM4ELMNAHSD17B10ACHEHSD17B1

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 10 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
CN-1856461-A Cycloalkylene compounds as estrogen receptor modulators SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN 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 KDM4E 1543/4885LMNA 4708/4885HSD17B10 397/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG KDM4E 1543/4885LMNA 4708/4885HSD17B10 397/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 KDM4E 1738/4885LMNA 4504/4885HSD17B10 332/4885

“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.