SCHEMBL407886

SCHEMBL407886

CCOC1CCCCC1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
HCRTR2 O43614 1/20 0.40
LTA4H P09960 1/20 0.40
LMNA P02545 2/20 0.40
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
HRH1 P35367 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL29428932 0.84 ALDH1A1 (0.54) ALDH1A1THRBLMNANPY1RNPY2R
SCHEMBL20995905 0.80 ALDH1A1 (0.50) ALDH1A1THRBLTA4HLMNANPY1R
SCHEMBL14305104 0.79 HRH1 (0.47) HRH1SLC6A2SLC6A3
SCHEMBL21357944 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3948636 0.73 MAPT (0.46) ALDH1A1THRBMAPK1
SCHEMBL10781873 0.73 ALDH1A1 (0.49) ALDH1A1THRBLMNANPY1RNPY2R
SCHEMBL28570110 0.72 NPY1R (0.62) ALDH1A1THRBLMNANPY1RNPY2R
SCHEMBL1496724 0.72 NPY1R (0.62) ALDH1A1THRBLMNANPY1RNPY2R
SCHEMBL19381817 0.72 ALDH1A1 (0.44) ALDH1A1THRBLTA4HLMNANPY1R
SCHEMBL20995934 0.71 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885THRB 2355/4885HCRTR2 1110/4885

“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.