SCHEMBL3468652

SCHEMBL3468652

CC(=O)Nc1ccc(-c2ccc(C(=C3CC(C)(C)CC(C)(C)C3)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CA12 O43570 1/20 0.51
BRD4 O60885 1/20 0.51
NR1I2 O75469 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MB P02144 1/20 0.51
CYP1A1 P04798 1/20 0.51
CA3 P07451 1/20 0.51
CYP3A4 P08684 1/20 0.51
RARG P13631 1/20 0.51
TSHR P16473 1/20 0.51
ALOX5AP P20292 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
NR1I3 Q14994 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL3467956 0.96 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL3468080 0.82 ESR1 (0.51) MAPTMEN1KMT2ACA12CA1
SCHEMBL3468348 0.82 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3467557 0.81 DYRK1B (0.43) ALDH1A1CA1CA2TSHRESR1
SCHEMBL3468569 0.81 ESR1 (0.59) MAPTKMT2ACA12CA1CA2
SCHEMBL3468408 0.80 ESR1 (0.56) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL3468563 0.79 MMP3 (0.47) ALDH1A1MAPTMEN1KMT2AESR1
Gsk-232802 SCHEMBL3467757 0.78 ESR1 (0.55) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL3467621 0.77 CA1 (0.59) ALDH1A1MAPTCA12CA1CA2
SCHEMBL2605857 0.77 KMT2A (0.87) ALDH1A1MAPTMEN1KMT2ACA12

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US claimed
JP-2007500705-A 2007-01-18 JP claimed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP claimed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO claimed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
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-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 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-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 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
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 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 ALDH1A1 1585/4885MAPT 4523/4885MEN1 4611/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ALDH1A1 1585/4885MAPT 4523/4885MEN1 4611/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ALDH1A1 1064/4885MAPT 3451/4885MEN1 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.