SCHEMBL4929648

SCHEMBL4929648

CCC(C)Nc1cc(C)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.41
THRA P10827 18/20 0.41
ABCB11 O95342 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARG P37231 1/20 0.34
NR1I3 Q14994 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
SCHEMBL5717861 0.91 THRA (0.36) THRBTHRA
SCHEMBL4928285 0.91 THRB (0.40) THRBTHRA
SCHEMBL4930388 0.91 THRB (0.43) THRBTHRAABCB11PTGS1PTGS2
SCHEMBL4931430 0.90 THRA (0.40) THRBTHRA
SCHEMBL4927497 0.90 THRB (0.48) THRBTHRA
SCHEMBL5103433 0.86 THRA (0.54) THRBTHRAABCB11PTGS1PTGS2
SCHEMBL4922939 0.85 THRB (0.40) THRBTHRAABCB11PTGS1PTGS2
SCHEMBL4926366 0.85 THRB (0.41) THRBTHRAABCB11PTGS1PTGS2
SCHEMBL4935198 0.85 ALDH1A1 (0.38) THRB
SCHEMBL5717856 0.84 THRB (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 US 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA THRB 4/4885THRA 3/4885ABCB11 791/4885

“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.