SCHEMBL1281563

SCHEMBL1281563

Cc1ccc(OCCCCCC(O)(Cn2ncnc2S)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
GAA P10253 2/20 0.33
QPCT Q16769 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 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
SCHEMBL1282173 0.91 ALDH1A1 (0.39) PPARAALDH1A1
SCHEMBL1282110 0.90 HTT (0.36) SMN1; SMN2DRD2DRD4DRD3GAA
SCHEMBL1282118 0.90 ALDH1A1 (0.40) PPARAMEN1KMT2AKCNH2ALDH1A1
SCHEMBL1281900 0.89 USP2 (0.36) PPARASMN1; SMN2DRD2DRD4DRD3
SCHEMBL1282635 0.88 KCNA3 (0.38) PPARA
SCHEMBL2122104 0.86 DRD2 (0.33) PPARADRD2DRD4DRD3GAA
SCHEMBL1283733 0.86 PPARA (0.41) PPARASMN1; SMN2DRD2DRD4DRD3
SCHEMBL2700514 0.85 ALDH1A1 (0.40) HTTKCNH2ALDH1A1
SCHEMBL1282957 0.85 FDPS (0.37) SMN1; SMN2DRD2DRD4DRD3MEN1
SCHEMBL1281724 0.85 PPARA (0.40) PPARAALDH1A1

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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 PPARA 4422/4885SMN1; SMN2 4625/4885DRD2 1783/4885

“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.