SCHEMBL3467555

SCHEMBL3467555

Cc1cc(O)ccc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPT P10636 7/20 0.53
NPC1 O15118 5/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 3/20 0.47
AKR1C3 P42330 1/20 0.47
USP2 O75604 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
RAB9A P51151 3/20 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
SCHEMBL30355061 0.89 HTT (0.60) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL1758224 0.89 HTT (0.60) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL7042352 0.87 MAPT (0.57) CASP3SENP8SENP7SENP6MAPT
SCHEMBL7679540 0.84 MEN1 (0.68) CASP3SENP8SENP7SENP6MAPT
SCHEMBL9857539 0.84 MEN1 (0.68) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL29963348 0.84 MEN1 (0.68) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL764844 0.82 SMN1; SMN2 (0.50) MAPTNPC1HTTKMT2AMEN1
SCHEMBL3469362 0.81 CASP3 (0.54) CASP3SENP8SENP7SENP6MAPT
SCHEMBL30623494 0.81 MAPT (0.51) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL17417 0.81 HTT (0.56) CASP3SENP8SENP7SENP6MAPT

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 CASP3 4284/4885SENP8 2168/4885SENP7 3974/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG CASP3 4284/4885SENP8 2168/4885SENP7 3974/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 CASP3 4075/4885SENP8 2123/4885SENP7 3697/4885

“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.