SCHEMBL3080491

SCHEMBL3080491

Cc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccccc2)cc1OCC#N

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL4674950 0.89 POLB (0.34) ALDH1A1POLBTSHRRXRARXRB
SCHEMBL3073700 0.85 GAA (0.35) ALDH1A1TSHRRXRASMN1; SMN2HTT
SCHEMBL3074996 0.84 PTGDR2 (0.44) POLBTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL3085602 0.83 ALDH1A1 (0.36) ALDH1A1POLBTSHRRXRAMEN1
SCHEMBL3078835 0.81 TSHR (0.53) ALDH1A1TSHRRXRAMEN1KMT2A
SCHEMBL3085581 0.81 RARB (0.35) ALDH1A1POLBTSHRRXRAMEN1
SCHEMBL3468200 0.80 ESR1 (0.34) ALDH1A1RXRARXRBRXRGSMN1; SMN2
SCHEMBL3085880 0.79 NPC1 (0.33) RXRARXRBRXRGSMN1; SMN2
SCHEMBL3078288 0.78 APOBEC3A (0.39) ALDH1A1POLBTSHRRXRAMEN1
SCHEMBL14098920 0.78 NPC1 (0.34) RXRARXRBRXRGSMN1; SMN2

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
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
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 ALDH1A1 928/4885POLB 3422/4885TSHR 227/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG ALDH1A1 928/4885POLB 3422/4885TSHR 227/4885

“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.