SCHEMBL3683441

SCHEMBL3683441

O=C1C(Br)=C(c2cc(Cl)c(O)c(Cl)c2)C2CCCC12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 2/20 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
SCHEMBL3680283 0.90 MELK (0.33) TSHRCYP2D6CYP2C9
SCHEMBL3644354 0.85 ESR2 (0.39) TSHRHSD17B10HSD11B1
SCHEMBL3682376 0.82 CA1 (0.38) CYP2C9
SCHEMBL3688180 0.82 ESR1 (0.32)
SCHEMBL3682183 0.79
SCHEMBL3684902 0.78 ESR2 (0.36)
SCHEMBL3676121 0.78 ESR2 (0.36)
SCHEMBL3683675 0.78 ESR2 (0.36)
SCHEMBL3688360 0.76 EP300 (0.36) TSHRALDH1A1KDM4EHSD17B10
SCHEMBL3677747 0.75 ESR1 (0.39) HSD17B10

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 TTR 4661/4885TSHR 111/4885CYP2D6 614/4885

“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.