SCHEMBL16742999

SCHEMBL16742999

COc1ccc(C2CCCC(O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.64
DRD2 P14416 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
CNR2 P34972 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL1506423 0.93 ESR2 (0.59) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1506578 0.93 ESR2 (0.59) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1506422 0.93 ESR2 (0.59) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1515040 0.87 DRD2 (0.56) DRD2ALDH1A1MAPTSMN1; SMN2HSD11B1
SCHEMBL8585237 0.86 CNR2 (0.55) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8587443 0.86 CNR2 (0.55) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8587440 0.86 CNR2 (0.55) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8585244 0.86 CNR2 (0.55) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8585238 0.86 CNR2 (0.55) ESR2DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11046077 0.83 ESR2 (0.49) ESR2DRD2ALDH1A1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071541-B1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOALKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM UNIV MARQUETTE (US) 2023-06-07 EP disclosed
US-10570077-B2 Substituted (4'-hydroxyphenyl)cyclohexane compounds and uses thereof as selective agonists of the estrogen receptor beta isoform MARQUETTE UNIVERSITY (US) 2020-02-25 US disclosed
US-20160340279-A1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOAKLKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM MARQUETTE UNIVERSITY (US) 2016-11-24 US disclosed
EP-3071541-A1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOALKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM Marquette University (US) 2016-09-28 EP disclosed
WO-2015077611-A1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOALKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM MARQUETTE UNIVERSITY (US) 2015-05-28 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-20160340279-A1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOAKLKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM ESR2, GPER1, ESRRG ESR2 1/4885DRD2 1128/4885ALDH1A1 1956/4885
US-10570077-B2 Substituted (4'-hydroxyphenyl)cyclohexane compounds and uses thereof as selective agonists of the estrogen receptor beta isoform ESR2, GPER1, ESR1 ESR2 1/4885DRD2 590/4885ALDH1A1 1172/4885

“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.