SCHEMBL3082749

SCHEMBL3082749

CC1(C)CC(=C(c2ccc(F)cc2)c2ccc(OCCO)cc2)CC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
PLA2G7 Q13093 4/20 0.42
GAA P10253 1/20 0.38
LSS P48449 2/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
ESRRG P62508 1/20 0.36
MAOB P27338 1/20 0.36
PSMB1 P20618 2/20 0.36
PSMB5 P28074 2/20 0.36
PSMB2 P49721 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL3078338 0.93 PLA2G7 (0.39) NR1I2PLA2G7LSSESR1ESR2
SCHEMBL3468515 0.88 CYP19A1 (0.46) NR1I2GAAESR1ESR2ESRRG
SCHEMBL3081636 0.88 GAA (0.52) NR1I2GAALSSESR1ESR2
SCHEMBL3082856 0.86 NR1I2 (0.42) NR1I2PLA2G7GAALSSESR1
SCHEMBL3075680 0.84 LTA4H (0.46) PLA2G7LSS
SCHEMBL3068903 0.82 PLA2G7 (0.38) PLA2G7GAAESR1ESR2PTPN7
SCHEMBL3069744 0.82 LMNA (0.42) GAAMAOBALDH1A1
SCHEMBL13095715 0.82 PLA2G7 (0.36) PLA2G7GAALSSESR1ESR2
SCHEMBL3081328 0.81 GAA (0.45) NR1I2GAAESR1ESR2ALDH1A1
SCHEMBL3468209 0.81 ESR1 (0.42) NR1I2ESR1ESR2ALDH1A1CYP19A1

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 14 patents. 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-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
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US 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 (2 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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG NR1I2 30/4885PLA2G7 808/4885GAA 3716/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG NR1I2 30/4885PLA2G7 808/4885GAA 3716/4885

“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.