SCHEMBL3467787

SCHEMBL3467787

Cc1c(O)ccc(C(=O)c2ccc(Br)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
AKR1C3 P42330 1/20 0.47
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX15 P16050 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL11015751 0.85 LIG1 (0.53) MAPTMAPK1NPC1HTTKMT2A
SCHEMBL3879139 0.81 GAA (0.55) MAPTMAPK1HTTKMT2AMEN1
SCHEMBL4132989 0.80 NPC1 (0.42) MAPTMAPK1NPC1HTTKMT2A
SCHEMBL3468434 0.78 HPGD (0.64) MAPTMAPK1NPC1HTTKMT2A
SCHEMBL7042352 0.76 MAPT (0.57) MAPTMAPK1NPC1HTTKMT2A
SCHEMBL3467555 0.75 CASP3 (0.55) MAPTMAPK1NPC1HTTKMT2A
SCHEMBL3467964 0.75 AKR1C3 (0.47) MAPTMAPK1NPC1HTTKMT2A
SCHEMBL3469266 0.74 ESR1 (0.37) MAPK1NPC1HPGDRAB9ACASP1
SCHEMBL11947075 0.74 ALDH1A1 (0.68) MAPTHTTKMT2AMEN1AKR1C3
SCHEMBL7633062 0.74 MAPT (0.69) MAPTMAPK1NPC1HTTKMT2A

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 MAPT 4523/4885MAPK1 3439/4885NPC1 2291/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MAPT 4523/4885MAPK1 3439/4885NPC1 2291/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MAPT 3451/4885MAPK1 2497/4885NPC1 638/4885

“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.