SCHEMBL5956466

SCHEMBL5956466

COC(=O)c1cc2c(cc1C)C(=O)CCS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 1/20 0.48
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SERPINH1 P50454 1/20 0.35

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
SCHEMBL5956835 0.84 KDM4E (0.52) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL5956723 0.84 KDM4E (0.68) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL2263868 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL1091065 0.78 KDM4E (0.60) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL31247524 0.78 KDM4E (0.60) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL14145183 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL24362256 0.74 BAZ2B (0.41) ALDH1A1KDM4EHTTHPGDHSD17B10
SCHEMBL30888685 0.72 KDM4E (0.54) ALDH1A1KDM4EHTTVHLELOC
SCHEMBL5956828 0.71 KDM4E (0.41) ALDH1A1KDM4EHTTCYP1A2CYP2C19
SCHEMBL5956849 0.70 KMT2A (0.41) ALDH1A1KDM4ECYP1A2CYP2C19HPGD

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ALDH1A1 2624/4885KDM4E 1686/4885HTT 3077/4885

“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.