SCHEMBL3978262

SCHEMBL3978262

COc1cccc(-c2nc3cc(Oc4c(Br)cc(CCC(=O)O)cc4Br)ccc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
DGAT1 O75907 1/20 0.44
FFAR1 O14842 1/20 0.43
PIN1 Q13526 1/20 0.43
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.43
PARP1 P09874 1/20 0.43
CHEK2 O96017 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3980705 0.96 HDAC6 (0.45) HDAC6THRATHRBPPARGPPARA
SCHEMBL4299146 0.90 THRA (0.49) THRATHRBPPARGPPARADGAT1
SCHEMBL3980703 0.88 HDAC6 (0.44) HDAC6PPARGPPARAPIN1VDR
SCHEMBL4299049 0.85 THRA (0.48) THRATHRBPPARGPPARADGAT1
SCHEMBL4299282 0.83 THRA (0.44) HDAC6THRATHRBPPARGPPARA
SCHEMBL4528770 0.83 THRA (0.46) THRATHRBPPARGPPARADGAT1
SCHEMBL3982935 0.81 THRA (0.54) THRATHRBFFAR1ALDH1A1HPGD
SCHEMBL3977650 0.80 CHEK2 (0.44) HDAC6THRATHRBPPARGPPARA
SCHEMBL4305218 0.79 THRA (0.47) THRATHRBPPARGPPARADGAT1
SCHEMBL4302551 0.78 CHEK2 (0.46) THRATHRBFFAR1CHEK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA HDAC6 1240/4885THRA 3/4885THRB 5/4885

“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.