SCHEMBL4530626

SCHEMBL4530626

CC(C)Nc1cc(Cl)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.35
THRA P10827 11/20 0.35
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5717998 0.94 THRB (0.36) THRBTHRAFFAR1KDM4EALDH1A1
SCHEMBL4932175 0.88 THRB (0.39) THRBTHRAFFAR1KDM4EALDH1A1
SCHEMBL4345797 0.86 THRB (0.34) THRBTHRAFFAR1KDM4EALDH1A1
SCHEMBL5718002 0.86 THRA (0.33) THRBTHRAKDM4EALDH1A1LMNA
SCHEMBL4349944 0.83 THRA (0.54) THRBTHRAFFAR1FFAR4
SCHEMBL4922880 0.82 THRB (0.40) THRBTHRAFFAR1FFAR4
SCHEMBL4523460 0.80 THRB (0.38) THRBTHRAFFAR1
SCHEMBL4353638 0.79 GPR139 (0.39) THRBTHRALMNAKMT2A
SCHEMBL5717941 0.79 THRB (0.52) THRBTHRA
SCHEMBL4351638 0.78 KDM4E (0.38) KDM4EALDH1A1LMNA

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 3 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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
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 THRB 4/4885THRA 3/4885FFAR1 37/4885

“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.