SCHEMBL3468149

SCHEMBL3468149

COc1ccc(C(=O)c2ccc(Br)c(C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.64
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
NPC1 O15118 2/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57

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
SCHEMBL31516311 1.00 MAPT (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL31061913 0.87 MAPT (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL27581493 0.86 HTT (0.53) MAPTRAB9ALMNAALDH1A1NPC1
SCHEMBL11357829 0.84 HTT (0.65) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL11576801 0.83 TUBB4A (0.70) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL27454175 0.82 MAPT (0.57) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL3468118 0.82 MAPT (0.62) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL12362759 0.82 TUBB4A (0.72) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL10428893 0.81 ALDH1A1 (0.75) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL9807240 0.81 ALDH1A1 (0.60) MAPTRAB9AMEN1KMT2ALMNA

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 4523/4885RAB9A 3719/4885MEN1 4611/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MAPT 4523/4885RAB9A 3719/4885MEN1 4611/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MAPT 3451/4885RAB9A 2618/4885MEN1 2963/4885

“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.