SCHEMBL3072806

SCHEMBL3072806

Cc1noc(C)c1-c1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.48
GPR55 Q9Y2T6 1/20 0.45
MLYCD O95822 1/20 0.42
BRD2 P25440 1/20 0.41
RORC P51449 3/20 0.40
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
CREBBP Q92793 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3468061 0.89 BRD4 (0.49) BRD4MLYCDBRD2CREBBP
SCHEMBL3084782 0.89 BRD4 (0.52) BRD4MLYCDBRD2CREBBP
SCHEMBL16404607 0.77 BRD4 (0.66) BRD4GPR55MLYCDBRD2LMNA
SCHEMBL3068540 0.73 ESR1 (0.49) PTGS2PTGS1
SCHEMBL6533645 0.73 HTR2A (0.39) LMNACYP1A2CYP3A4CYP2C19TP53
SCHEMBL3082420 0.73 LPL (0.38) LMNACYP1A2CYP3A4CYP2C19CLK4
SCHEMBL4620312 0.72 ESR1 (0.38) CYP1A2CYP3A4CYP2C19PTGS2PTGS1
SCHEMBL3069374 0.72 LPL (0.39) USP2TSHRHSD17B10
SCHEMBL3133913 0.71 ESR1 (0.34)
SCHEMBL3074106 0.71 BCL2L1 (0.49) TP53TSHR

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 17 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-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US claimed
EP-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP claimed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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
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
EP-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (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 BRD4 856/4885GPR55 96/4885MLYCD 2838/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG BRD4 856/4885GPR55 96/4885MLYCD 2838/4885

“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.