SCHEMBL4929708

SCHEMBL4929708

CCCNc1cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.47
CYP1A2 P05177 2/20 0.47
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ACP1 P24666 2/20 0.38
CCR2 P41597 1/20 0.38
DHODH Q02127 2/20 0.37
TACR1 P25103 1/20 0.36

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
SCHEMBL5717881 0.95 TRPA1 (0.44) TRPA1CYP1A2THRATHRBLMNA
SCHEMBL4931598 0.93 THRB (0.48) TRPA1CYP1A2THRATHRBLMNA
SCHEMBL5110472 0.91 THRB (0.47) THRATHRBLMNAALDH1A1ACP1
SCHEMBL4931483 0.90 TRPA1 (0.47) TRPA1CYP1A2LMNAALDH1A1CCR2
SCHEMBL4929668 0.89 TRPA1 (0.48) TRPA1CYP1A2THRATHRBLMNA
SCHEMBL4934596 0.89 THRA (0.47) THRATHRBLMNAALDH1A1ACP1
SCHEMBL5104439 0.89 THRA (0.47) THRATHRBLMNAALDH1A1ACP1
SCHEMBL5717827 0.88 THRA (0.45) TRPA1CYP1A2THRATHRBLMNA
SCHEMBL5717887 0.87 TRPA1 (0.41) TRPA1CYP1A2THRATHRBLMNA
SCHEMBL4933325 0.86 THRB (0.43) THRATHRBDHODH

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 TRPA1 675/4885CYP1A2 1307/4885THRA 3/4885

“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.