SCHEMBL3468262

SCHEMBL3468262

O=C(c1cccc(O)c1)c1ccc(Br)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.57
HSD17B2 P37059 8/20 0.57
FASN P49327 1/20 0.57
DYRK1A Q13627 2/20 0.56
CLK1 P49759 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
KDM4E B2RXH2 2/20 0.47
EGLN2 Q96KS0 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
PARP1 P09874 1/20 0.46
STS P08842 1/20 0.44
HSD17B14 Q9BPX1 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL17235856 0.85 CES2 (0.53) HSD17B1HSD17B2KDM4EPARP1MEN1
SCHEMBL1129171 0.84 ATM (0.55) HSD17B14MEN1NPC1RAB9AKMT2A
SCHEMBL3468572 0.84 HTT (0.56) HSD17B1HSD17B2CA2HSD17B14MEN1
SCHEMBL809540 0.80 FASN (0.76) HSD17B1HSD17B2FASNDYRK1ACLK1
SCHEMBL29699163 0.80 FASN (0.76) HSD17B1HSD17B2FASNDYRK1ACLK1
SCHEMBL17235834 0.79 LTA4H (0.50) KDM4ECA1CA2NPC1RAB9A
SCHEMBL9468468 0.79 HSD17B1 (0.64) HSD17B1HSD17B2FASNDYRK1ACLK1
SCHEMBL26988699 0.79 CLK1 (0.62) HSD17B1HSD17B2FASNDYRK1ACLK1
SCHEMBL3467828 0.78 CES2 (0.54) PARP1STSMEN1NPC1RAB9A
SCHEMBL7886475 0.77 FASN (0.61) HSD17B1HSD17B2FASNDYRK1ACLK1

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 HSD17B1 155/4885HSD17B2 108/4885FASN 1716/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG HSD17B1 155/4885HSD17B2 108/4885FASN 1716/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 HSD17B1 147/4885HSD17B2 83/4885FASN 993/4885

“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.