SCHEMBL3469156

SCHEMBL3469156

COC(=O)CCc1ccc(C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ESRRB O95718 1/20 0.50
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC2 Q92769 1/20 0.46

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
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL95254 0.91 HDAC2 (0.53) MAPTHPGDESR1ESR2LMNA
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL30611554 0.90 HDAC2 (0.51) MAPTHPGDESR1ESR2LMNA
SCHEMBL11629832 0.87 SRD5A2 (0.56) MAPTHTTESRRBCA12CA7
SCHEMBL11135481 0.85 LOXL2 (0.57) MAPTLMNAMEN1KMT2ASRD5A2
SCHEMBL3468096 0.85 F2RL1 (0.63) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL10420236 0.85 ESRRB (0.50) ESR1ESR2HTTESRRBSMN1; SMN2
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL8767620 0.85 FFAR1 (0.54) ESR1ESR2LMNAESRRBMEN1
SCHEMBL22922181 0.84 CYP4F2 (0.59) MAPTLMNAHTTCA12CA7
SCHEMBL27661252 0.83 CYP4F2 (0.56) MAPTHPGDESR1ESR2LMNA
SCHEMBL8767622 0.82 KMT2A (0.66) MAPTLMNAHTTMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 — — US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 — — US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 — — US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 — — US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 — — US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 — — US disclosed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 — — EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 — — WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 — — 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 (3 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG MAPT 4523/4885HPGD 532/4885ESR1 4/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MAPT 4523/4885HPGD 532/4885ESR1 4/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MAPT 3451/4885HPGD 633/4885ESR1 3/4885

“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.

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