SCHEMBL3680437

SCHEMBL3680437

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.44
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 9/20 0.37
ESR2 Q92731 9/20 0.37
HSD17B2 P37059 4/20 0.37
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.36
MIF P14174 2/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL3683807 0.83 RPS6KA3 (0.30) ESR1ESR2
SCHEMBL3685069 0.82 HSD17B1 (0.37) HSD17B1ESR1ESR2HSD17B2CYP3A4
SCHEMBL3684525 0.78 HSD17B1 (0.36) HSD17B1ESR1ESR2
SCHEMBL3727032 0.78 ESR1 (0.33) HSD17B1ESR1ESR2HSD17B2
SCHEMBL3727172 0.77 MELK (0.33)
SCHEMBL3687391 0.77 ESR2 (0.43) HSD17B1ESR1ESR2HSD17B2CYP17A1
SCHEMBL3726004 0.75 AR (0.33) HSD17B1
SCHEMBL3722224 0.75 AR (0.33) HSD17B1
SCHEMBL3726807 0.75 AR (0.33) HSD17B1
SCHEMBL3642562 0.74 HSD17B1 (0.36) HSD17B1ESR1ESR2

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 HSD17B1 265/4885KDM4E 572/4885LMNA 3050/4885

“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.