SCHEMBL5864967

SCHEMBL5864967

COc1ccc(OC(=O)OC(=O)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL1398350 0.90 CES2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL5079945 0.87 CES2 (0.47) CES2CES1CA1CA2CA12
SCHEMBL697317 0.86 CA1 (0.56) CES2CES1CA1CA2CA12
SCHEMBL8065698 0.84 ESR2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL13019255 0.84 CA1 (0.54) CES2CES1CA1CA2CA12
SCHEMBL16675176 0.84 CES2 (0.52) CES2CES1CA1CA2CA12
SCHEMBL25022311 0.82 ESR2 (0.61) CES2CES1CA1CA2CA12
SCHEMBL14378828 0.82 CES2 (0.50) CES2CES1CA1CA2CA12
SCHEMBL5696756 0.82 CA4 (0.61) CES2CES1CA1CA2CA12
SCHEMBL697316 0.82 CES2 (0.50) CES2CES1CA1CA2CA12

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-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 CES2 1013/4885CES1 267/4885CA1 2734/4885

“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.