SCHEMBL4097579

SCHEMBL4097579

CCC(=O)c1ccc(OC)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.73
CYP2C9 P11712 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
STAT6 P42226 1/20 0.66
HSD17B10 Q99714 1/20 0.66
PLK1 P53350 1/20 0.61
CDC25B P30305 3/20 0.58
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CNR2 P34972 4/20 0.52
HIF1A Q16665 1/20 0.50
HMGCR P04035 1/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 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
SCHEMBL4109331 0.90 HPGDS (0.59) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL4835983 0.86 HPGDS (0.73) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL4519297 0.85 HPGDS (1.00) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL11279449 0.85 HPGDS (0.71) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL245751 0.85 HPGDS (0.71) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL11598244 0.83 HPGDS (0.69) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL24396937 0.82 HPGDS (0.68) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
Menbutone SCHEMBL30277792 0.82 CYP2C9 (0.69) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
Menbutone SCHEMBL1641812 0.82 CYP2C9 (0.69) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL562156 0.82 HPGDS (0.68) HPGDSCYP2C9ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678017-B1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-04-05 EP disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
EP-0200942-B1 NEW DERIVATIVES OF AN AMINOKETONE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-08-25 EP disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-3985896-A Benzophenalenofurans SMITHKLINE CORPORATION (US) 1976-10-12 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A HPGDS 2194/4885CYP2C9 293/4885ALDH1A1 195/4885

“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.