SCHEMBL3687669

SCHEMBL3687669

CC(=O)C1=C(c2ccc(O)cc2)C2CCCC2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.40
ESR2 Q92731 7/20 0.33
ESR1 P03372 5/20 0.33
PREP P48147 3/20 0.33
MIF P14174 1/20 0.33
HSD11B1 P28845 1/20 0.31
CELA1 Q9UNI1 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3678586 0.87 ESR1 (0.33) HSD17B1ESR2ESR1HPGDKDM4E
SCHEMBL3683675 0.78 ESR2 (0.36) HSD17B1ESR2ESR1MIFGAA
SCHEMBL3684902 0.78 ESR2 (0.36) HSD17B1ESR2ESR1MIFGAA
SCHEMBL3676121 0.78 ESR2 (0.36) HSD17B1ESR2ESR1MIFGAA
SCHEMBL3679284 0.76 ESR2 (0.38) ESR2ESR1MIFKDM1A
SCHEMBL3681589 0.76 ESR2 (0.35) HSD17B1ESR2ESR1MIFGAA
SCHEMBL3678729 0.74 ESR1 (0.31) ESR2ESR1ALDH1A1CASP1KDM1A
SCHEMBL3686645 0.74 MGAM (0.38) ESR2ESR1KDM4EMEN1ALDH1A1
SCHEMBL3640476 0.74 ESR2 (0.38) HSD17B1ESR2ESR1MIFRAB9A
SCHEMBL3681309 0.74 HSD17B10 (0.32) ESR2ESR1MIFHPGDKDM4E

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 4 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
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 HSD17B1 265/4885ESR2 3/4885ESR1 1/4885

“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.