SCHEMBL5116030

SCHEMBL5116030

CCC(=O)Nc1cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.49
THRB P10828 5/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.43
FFAR4 Q5NUL3 5/20 0.42
FFAR1 O14842 3/20 0.42
MAPT P10636 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
HSPH1 Q92598 1/20 0.38

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
SCHEMBL5109300 0.90 THRA (0.62) THRATHRBLMNAALDH1A1FFAR4
SCHEMBL5107899 0.90 THRA (0.51) THRATHRBLMNAFFAR4FFAR1
SCHEMBL5107813 0.90 THRB (0.46) THRATHRBLMNAALDH1A1MAPT
SCHEMBL5111277 0.89 ALDH1A1 (0.46) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL4932268 0.88 THRA (0.54) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL4932512 0.87 THRA (0.53) THRATHRBLMNAFFAR4FFAR1
SCHEMBL5109920 0.87 THRA (0.48) THRATHRBLMNAALDH1A1FFAR4
SCHEMBL4928689 0.87 THRA (0.50) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL5118275 0.86 THRA (0.45) THRATHRBALDH1A1FFAR4FFAR1
SCHEMBL5103911 0.86 THRA (0.47) THRATHRBLMNAALDH1A1FFAR4

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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA THRA 3/4885THRB 4/4885LMNA 3643/4885

“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.