SCHEMBL3075680

SCHEMBL3075680

CC1(C)CC(=C(c2ccc(F)cc2)c2ccc(OCCCC(=O)O)cc2)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
PPARA Q07869 3/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 5/20 0.41
FFAR1 O14842 3/20 0.41
PLA2G7 Q13093 2/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 1/20 0.40
LSS P48449 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL3063182 0.91 PPARA (0.54) PPARAFFAR4FFAR1L3MBTL1PDE4B
SCHEMBL3469364 0.89 ESR1 (0.47) PPARAL3MBTL1PDE4B
SCHEMBL3069744 0.87 LMNA (0.42) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL3087766 0.87 HRH2 (0.44) LTA4HSMN1; SMN2L3MBTL1
SCHEMBL3082749 0.84 NR1I2 (0.43) PLA2G7LSS
SCHEMBL4728795 0.81 PPARA (0.40) PPARAKDM4ESMN1; SMN2PLA2G7PPARG
SCHEMBL3078338 0.80 PLA2G7 (0.39) SMN1; SMN2PLA2G7LSSL3MBTL1
SCHEMBL4728801 0.79 FFAR4 (0.34) LTA4HPPARASMN1; SMN2FFAR4PLA2G7
SCHEMBL13270451 0.79 LTA4H (0.46) LTA4HPPARAKDM4ESMN1; SMN2FFAR4
SCHEMBL3075855 0.79 LTA4H (0.47) LTA4HKDM4ESMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US claimed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP claimed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US claimed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US claimed
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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP 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
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO 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 (4 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 LTA4H 592/4885PPARA 130/4885KDM4E 1543/4885
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG LTA4H 563/4885PPARA 183/4885KDM4E 1507/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG LTA4H 563/4885PPARA 183/4885KDM4E 1507/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 LTA4H 563/4885PPARA 117/4885KDM4E 1738/4885

“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.