SCHEMBL18244641

SCHEMBL18244641

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 1.00
ESR2 Q92731 7/20 1.00
HSD17B10 Q99714 4/20 0.61
STS P08842 4/20 0.61
LMNA P02545 4/20 0.61
SHBG P04278 3/20 0.61
HSD17B1 P14061 3/20 0.61
HIF1A Q16665 3/20 0.61
AKR1B10 O60218 2/20 0.61
CYP1A2 P05177 2/20 0.61
PGR P06401 2/20 0.61
SERPINA6 P08185 2/20 0.61
CYP3A4 P08684 2/20 0.61
AR P10275 2/20 0.61
MAPT P10636 2/20 0.61
AKR1B1 P15121 2/20 0.61
SLC6A4 P31645 2/20 0.61
SNCA P37840 2/20 0.61
HTR2B P41595 2/20 0.61
BLM P54132 2/20 0.61

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
SCHEMBL7058461 0.91 ESR1 (0.83) ESR1ESR2HSD17B10STSLMNA
SCHEMBL6468636 0.87 ESR1 (0.77) ESR1ESR2HSD17B10STSLMNA
SCHEMBL2830991 0.87 ESR1 (0.77) ESR1ESR2HSD17B10STSLMNA
SCHEMBL5973223 0.86 ESR1 (0.75) ESR1ESR2HSD17B10STSLMNA
SCHEMBL10771941 0.85 ESR1 (0.80) ESR1ESR2HSD17B10STSLMNA
SCHEMBL7057452 0.83 ESR1 (0.76) ESR1ESR2HSD17B10STSLMNA
SCHEMBL5677986 0.83 ESR1 (0.76) ESR1ESR2HSD17B10STSLMNA
SCHEMBL7056815 0.81 ESR1 (0.71) ESR1ESR2HSD17B10STSLMNA
SCHEMBL8436829 0.81 ESR1 (0.71) ESR1ESR2HSD17B10STSLMNA
SCHEMBL7218327 0.81 ESR1 (0.71) ESR1ESR2HSD17B10STSLMNA

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-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
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

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 ESR1 4/4885ESR2 1/4885HSD17B10 543/4885
US-10570077-B2 Substituted (4'-hydroxyphenyl)cyclohexane compounds and uses thereof as selective agonists of the estrogen receptor beta isoform ESR2, GPER1, ESR1 ESR1 3/4885ESR2 1/4885HSD17B10 353/4885

“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.