SCHEMBL3136444

SCHEMBL3136444

CCCCc1cc(C)nc2ccc(Oc3c(Br)cc(CCC(=O)O)cc3Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 16/20 0.50
THRB P10828 16/20 0.50
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PCNA P12004 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 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
SCHEMBL3129896 0.92 THRA (0.53) THRATHRBKDM4EALDH1A1CYP1A2
SCHEMBL3140997 0.86 THRA (0.55) THRATHRBKDM4EALDH1A1CYP1A2
SCHEMBL5074421 0.80 THRA (0.34) THRATHRB
SCHEMBL3137369 0.80 THRA (0.56) THRATHRBPCNAPOLBMAPK1
SCHEMBL3145813 0.80 THRA (0.52) THRATHRBKDM4EHPGDPCNA
SCHEMBL3133738 0.77 THRA (0.54) THRATHRBPCNAPOLBMAPK1
SCHEMBL3145893 0.76 THRA (0.52) THRATHRBPCNAPOLBMAPK1
SCHEMBL3141004 0.76 THRA (0.53) THRATHRBPCNAPOLBMAPK1
Propionic Acid SCHEMBL5077534 0.75 THRA (0.52) THRATHRB
SCHEMBL3137244 0.74 THRA (0.54) THRATHRBPCNAPOLBMAPK1

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 THRA 4/4885THRB 6/4885ATM 3702/4885

“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.