SCHEMBL3678729

SCHEMBL3678729

C=C(C)CC1=C(c2ccc(O)cc2)C2CCCC2C1=O

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.31
ESR2 Q92731 3/20 0.31
KDM1A O60341 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL3686645 0.81 MGAM (0.38) ESR1ESR2ALDH1A1PDE4D
SCHEMBL3678586 0.79 ESR1 (0.33) ESR1ESR2ALDH1A1CASP1
SCHEMBL3681589 0.75 ESR2 (0.35) ESR1ESR2KDM1APDE4APDE4B
SCHEMBL3687669 0.74 HSD17B1 (0.40) ESR1ESR2KDM1AALDH1A1CASP1
SCHEMBL3684902 0.73 ESR2 (0.36) ESR1ESR2KDM1A
SCHEMBL3683675 0.73 ESR2 (0.36) ESR1ESR2KDM1A
SCHEMBL3676121 0.73 ESR2 (0.36) ESR1ESR2KDM1A
SCHEMBL3679284 0.72 ESR2 (0.38) ESR1ESR2KDM1A
SCHEMBL3677166 0.71 ESR2 (0.33) ESR1ESR2KDM1AALDH1A1CASP1
SCHEMBL3640476 0.70 ESR2 (0.38) ESR1ESR2KDM1APDE4APDE4B

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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US claimed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP claimed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO claimed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 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 (1 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 ESR1 1/4885ESR2 3/4885KDM1A 737/4885

“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.