SCHEMBL3075855

SCHEMBL3075855

CCOC(=O)CCCOc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
FAAH O00519 1/20 0.45
PDK2 Q15119 1/20 0.44
MAPT P10636 3/20 0.43
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3467951 0.91 CYSLTR2 (0.43) LTA4HCYSLTR2CYSLTR1PDK2MAPT
SCHEMBL3087766 0.90 HRH2 (0.44) LTA4HCYSLTR2CYSLTR1PDK2MAPT
SCHEMBL3063182 0.88 PPARA (0.54) CYSLTR2CYSLTR1MAPTRAB9AGAA
SCHEMBL3078288 0.82 APOBEC3A (0.39) RAB9AL3MBTL1TDP1TSHRALDH1A1
SCHEMBL3073731 0.80 GAA (0.43) GAA
SCHEMBL3081636 0.80 GAA (0.52) MAPTRAB9AGAAL3MBTL1ALDH1A1
SCHEMBL3469364 0.80 ESR1 (0.47) GAAL3MBTL1
SCHEMBL3075680 0.79 LTA4H (0.46) LTA4HSMN1; SMN2L3MBTL1KDM4E
SCHEMBL3082901 0.77 CYP19A1 (0.49) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL767042 0.77 TDP1 (0.62) LTA4HCYSLTR2CYSLTR1FAAHMAPT

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 6 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 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-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 LTA4H 563/4885CYSLTR2 163/4885CYSLTR1 180/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG LTA4H 563/4885CYSLTR2 163/4885CYSLTR1 180/4885

“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.