SCHEMBL4345800

SCHEMBL4345800

CCC(C)Nc1cc(C)cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.46
THRB P10828 12/20 0.46
FFAR4 Q5NUL3 5/20 0.43
FFAR1 O14842 3/20 0.43
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
S1PR1 P21453 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL4923405 0.90 THRA (0.45) THRATHRBFFAR4FFAR1ESR1
SCHEMBL4362330 0.90 THRA (0.48) THRATHRBFFAR4FFAR1ESR1
SCHEMBL4532509 0.89 THRA (0.60) THRATHRBFFAR4FFAR1ESR1
SCHEMBL4940742 0.89 THRB (0.40) THRATHRBS1PR1
SCHEMBL4931298 0.88 THRA (0.44) THRATHRBFFAR4FFAR1ESR1
SCHEMBL4360452 0.86 THRA (0.59) THRATHRBFFAR4FFAR1ESR1
SCHEMBL4927315 0.86 THRA (0.48) THRATHRBFFAR4FFAR1
SCHEMBL4923866 0.86 THRA (0.42) THRATHRBFFAR4FFAR1ESR1
SCHEMBL4351925 0.84 THRA (0.58) THRATHRBFFAR4FFAR1ESR1
SCHEMBL5717937 0.84 THRA (0.44) THRATHRBFFAR4FFAR1ESR1

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
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 THRA 3/4885THRB 4/4885FFAR4 65/4885

“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.