SCHEMBL16743003

SCHEMBL16743003

C=CCCC(O)(CCC=C)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ AOC3 Q16853 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL19419845 0.76 CYP1A2 (0.47) ALDH1A1SMN1; SMN2TSHRLMNAKCNH2
SCHEMBL2950137 0.74 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2ALOX15AOC3LMNA
SCHEMBL30778216 0.73 MAPT (0.47) ALDH1A1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL20378505 0.72 CA12 (0.46) ALDH1A1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL2609828 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL957148 0.70 KCNN4 (0.33) SMN1; SMN2CYP3A4CYP1A1CYP1B1
SCHEMBL29810172 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL24425881 0.68 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL4905134 0.68 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL812742 0.68 CA1 (0.58) ALDH1A1ALOX15AOC3LMNAAPEX1

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 ALDH1A1 1956/4885SMN1; SMN2 3526/4885ALOX15 1598/4885
US-10570077-B2 Substituted (4'-hydroxyphenyl)cyclohexane compounds and uses thereof as selective agonists of the estrogen receptor beta isoform ESR2, GPER1, ESR1 ALDH1A1 1172/4885SMN1; SMN2 3357/4885ALOX15 1225/4885

“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.

Send feedback