SCHEMBL3075656

SCHEMBL3075656

COC(=O)c1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 2/20 0.44
PTPN1 P18031 1/20 0.44
HPGD P15428 1/20 0.44
AGTR1 P30556 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL3467621 0.88 CA1 (0.59) TSHRMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL3073095 0.84 TSHR (0.47) TSHRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3075044 0.80 ESR1 (0.50) MAPTRAB9ASMN1; SMN2HPGDMEN1
SCHEMBL6533645 0.78 HTR2A (0.39) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3073109 0.78 KMT2A (0.39) MAPTKDM4ERAB9ACASP3SENP7
SCHEMBL3076991 0.78 ALOX15 (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3468373 0.78 SLC6A3 (0.49) TSHRMAPTKDM4EALDH1A1CA1
Methyl Benzoate SCHEMBL28249321 0.77 TSHR (0.95) TSHRMAPTRAB9AL3MBTL1CASP3
SCHEMBL3075252 0.76 ESR1 (0.49) MAPTKDM4EALDH1A1HPGDCA1
SCHEMBL3082901 0.76 CYP19A1 (0.49) MAPTKDM4ERAB9AL3MBTL1SMN1; 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 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 TSHR 227/4885MAPT 4195/4885KDM4E 1507/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG TSHR 227/4885MAPT 4195/4885KDM4E 1507/4885

“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.