SCHEMBL408670

SCHEMBL408670

COc1ccccc1-n1cc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL407661 0.84 DGAT1 (0.47) DGAT1ALDH1A1HPGDHTTALOX15
SCHEMBL408668 0.83 DGAT1 (0.43) DGAT1ALDH1A1
SCHEMBL408713 0.81 NOTUM (0.43) DGAT1
SCHEMBL408203 0.81 DGAT1 (0.54) DGAT1ALDH1A1HPGD
SCHEMBL408728 0.80 DGAT1 (0.47) DGAT1ALDH1A1
SCHEMBL408273 0.78 DGAT1 (0.54) DGAT1ALDH1A1HPGDATML3MBTL1
SCHEMBL6741238 0.76 L3MBTL1 (0.57) DGAT1ALDH1A1GAAATML3MBTL1
SCHEMBL7570433 0.75 AR (0.42) ALDH1A1HTTALOX15KMT2A
SCHEMBL463677 0.75 DGAT1 (0.51) DGAT1KDM5B
SCHEMBL408204 0.73 DGAT1 (0.41) DGAT1

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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
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 DGAT1 2/4885ALDH1A1 272/4885HPGD 1034/4885

“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.