SCHEMBL3138232

SCHEMBL3138232

CCC(Oc1cc(Br)c(Oc2ccc3nc(Cl)cc(Cl)c3c2)c(Br)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 10/20 0.39
THRB P10828 10/20 0.39
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
PTPN1 P18031 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
SCHEMBL3140925 0.80 THRA (0.45) THRATHRB
SCHEMBL5072132 0.78 NT5E (0.35) THRATHRB
SCHEMBL5072134 0.78 ESR1 (0.38) THRATHRB
SCHEMBL3140495 0.76 SMN1; SMN2 (0.51) SMN1; SMN2THRATHRBPPARGPPARA
SCHEMBL3141333 0.72 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL3140799 0.71 THRA (0.42) THRATHRB
SCHEMBL3140938 0.70 THRA (0.46) THRATHRB
SCHEMBL15200586 0.69 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARA
SCHEMBL5072138 0.69 L3MBTL1 (0.38) THRATHRB
SCHEMBL5072131 0.69 L3MBTL1 (0.38) THRATHRB

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR SMN1; SMN2 4757/4885THRA 4/4885THRB 6/4885

“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.