SCHEMBL5964541

SCHEMBL5964541

COc1c(C(C)C)cc(Oc2c(Cl)cc(C(=O)O)c(C)c2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.39
THRA P10827 7/20 0.39
TPMT P51580 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 2/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
IMPDH2 P12268 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
SCHEMBL5964544 1.00 THRB (0.39) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5964620 0.87 THRB (0.44) THRBTHRATPMTRORCALDH1A1
SCHEMBL5964863 0.85 THRB (0.43) THRBTHRARORC
SCHEMBL5280253 0.84 THRB (0.56) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5964840 0.83 THRB (0.41) THRBTHRATPMTRORCKDM4E
SCHEMBL5964551 0.83 THRB (0.41) THRBTHRARORCALDH1A1
SCHEMBL5964703 0.80 THRB (0.39) THRBTHRATPMTRORC
SCHEMBL5964567 0.78 RORC (0.58) THRBTHRARORC
SCHEMBL5276638 0.78 THRA (0.53) THRBTHRA
SCHEMBL5280163 0.77 THRA (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153997-B2 Benzamide derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-26 US disclosed
US-20060135614-A1 Novel compounds NORIN, THOMAS ANDERS WILSON (SE) 2006-06-22 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-20060135614-A1 Novel compounds THRB, TSHR, THRA THRB 1/4885THRA 3/4885TPMT 2344/4885

“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.