SCHEMBL4272863

SCHEMBL4272863

CCc1cc(C(=O)CCC(=O)O)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
CTNNB1 P35222 2/20 0.55
WNT3A P56704 2/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
PDE4B Q07343 1/20 0.46

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
SCHEMBL4085995 0.88 SMN1; SMN2 (0.54) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL18755183 0.87 PDE4D (0.54) ALDH1A1HPGDCTNNB1WNT3AKMT2A
SCHEMBL8217525 0.86 HSD17B10 (0.49) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL4090943 0.86 HSD17B10 (0.53) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL29923058 0.85 CTNNB1 (0.73) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL1527427 0.85 CTNNB1 (0.73) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL9120028 0.84 CTNNB1 (0.49) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL10758599 0.83 PTPN1 (0.51) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL5188941 0.83 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL5495178 0.83 CTNNB1 (0.60) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 ALDH1A1 435/4885HPGD 1713/4885HSD17B10 313/4885

“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.