SCHEMBL3021925

SCHEMBL3021925

CCC(Oc1ccc(SCC=C(C#CCO)c2ccc(Br)cc2)cc1C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.49
PPARA Q07869 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT6 P42226 1/20 0.35
PPARG P37231 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 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
SCHEMBL3021922 1.00 PPARD (0.49) PPARDPPARASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3030250 0.90 PPARA (0.45) PPARDPPARASMN1; SMN2PPARG
SCHEMBL3030246 0.90 PPARA (0.45) PPARDPPARASMN1; SMN2PPARG
SCHEMBL3021757 0.88 PPARD (0.48) PPARDPPARASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3021753 0.88 PPARD (0.48) PPARDPPARASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3026119 0.83 PPARD (0.71) PPARDPPARAPTGDR2
SCHEMBL3026125 0.83 PPARD (0.71) PPARDPPARAPTGDR2
SCHEMBL3031949 0.83 PPARD (0.54) PPARDPPARASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3031946 0.83 PPARD (0.54) PPARDPPARASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3375341 0.79 PPARD (0.44) PPARDALDH1A1CYP1A2CYP3A4CYP2D6

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-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885SMN1; SMN2 2610/4885

“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.