SCHEMBL3688360

SCHEMBL3688360

O=C1C(Br)=C(c2ccc(O)c(Br)c2)C2CCCC12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
ALOX15 P16050 3/20 0.35
KDM4E B2RXH2 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK2 P24941 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B3 P37058 1/20 0.32
CISD1 Q9NZ45 2/20 0.32

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
SCHEMBL3644354 0.85 ESR2 (0.39) HSD17B10CDK2GSK3AGSK3BSMN1; SMN2
SCHEMBL3677499 0.85 HSD17B1 (0.36) GSK3BCSNK2A2CSNK2BCSNK2A1ESR1
SCHEMBL3684787 0.85 HSD17B1 (0.40) KDM4EHSD17B10ESR1ESR2HSD17B1
SCHEMBL3682686 0.82 CA12 (0.34)
SCHEMBL3676121 0.81 ESR2 (0.36) ALOX15ESR1ESR2HSD17B1
SCHEMBL3683675 0.81 ESR2 (0.36) ALOX15ESR1ESR2HSD17B1
SCHEMBL3684902 0.81 ESR2 (0.36) ALOX15ESR1ESR2HSD17B1
SCHEMBL3640476 0.78 ESR2 (0.38) ESR1ESR2HSD17B1
SCHEMBL3682376 0.76 CA1 (0.38)
SCHEMBL3683441 0.76 TTR (0.38) KDM4EHSD17B10ALDH1A1TSHR

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 EP300 420/4885ALOX15 1661/4885KDM4E 572/4885

“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.