SCHEMBL3468434

SCHEMBL3468434

COc1ccc(C(=O)c2ccc(Br)cc2)c(C)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 8/20 0.53
MAPK1 P28482 4/20 0.53
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 2/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 3/20 0.49
NPC1 O15118 2/20 0.47
ALOX15 P16050 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL31286452 0.87 MAPT (0.56) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL7681506 0.86 HPGD (0.59) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL11578078 0.85 NPC1 (0.66) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL9240902 0.84 MAPT (0.50) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL613121 0.83 MAPT (0.66) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL11427275 0.82 MAPT (0.48) HPGDMAPTMAPK1LMNANPSR1
SCHEMBL5754708 0.80 MAPT (0.65) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL3468344 0.79 HPGD (0.62) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL5494653 0.79 HPGD (0.57) HPGDKMT2AMAPTMAPK1LMNA
SCHEMBL3467787 0.78 MAPT (0.49) HPGDKMT2AMAPTMAPK1LMNA

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 HPGD 532/4885KMT2A 3196/4885MAPT 4523/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG HPGD 532/4885KMT2A 3196/4885MAPT 4523/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 HPGD 633/4885KMT2A 3133/4885MAPT 3451/4885

“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.