SCHEMBL3979453

SCHEMBL3979453

COC(=O)C(F)Cc1cc(Br)c(Oc2ccc3[nH]c(C(Cl)(Cl)Cl)nc3c2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.34
THRA P10827 17/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3986363 0.80 THRB (0.37) THRBTHRA
SCHEMBL4302453 0.76 THRA (0.37) THRBTHRA
SCHEMBL3981706 0.76 THRA (0.39) THRBTHRAKDM4E
SCHEMBL4297760 0.76 THRB (0.37) THRBTHRA
SCHEMBL3981701 0.76 THRA (0.39) THRBTHRAKDM4E
SCHEMBL3985944 0.76 THRA (0.39) THRBTHRAKDM4E
SCHEMBL3979612 0.75 THRA (0.40) THRBTHRA
SCHEMBL4299054 0.75 THRA (0.38) THRBTHRA
SCHEMBL4299290 0.75 THRA (0.36) THRBTHRA
SCHEMBL3979489 0.75 EGLN1 (0.39) THRBTHRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA THRB 5/4885THRA 3/4885KDM4E 1775/4885

“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.