SCHEMBL4683690

SCHEMBL4683690

O=CC=Cc1cccc(OCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.65
CDK1 P06493 3/20 0.65
CDK4 P11802 3/20 0.65
CCNB1 P14635 3/20 0.65
CCND1 P24385 3/20 0.65
CCNB3 Q8WWL7 3/20 0.65
LMNA P02545 2/20 0.54
ACMSD Q8TDX5 1/20 0.52
ALOX15 P16050 1/20 0.51
PTPN7 P35236 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.49
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
MAPK1 P28482 2/20 0.46
TRPA1 O75762 1/20 0.46
ALOX5 P09917 1/20 0.46
MAOA P21397 1/20 0.44

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
SCHEMBL4683688 1.00 CCNB2 (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL14501310 0.84 CYSLTR2 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL353914 0.84 MAOA (0.61) LMNAACMSDALOX15PTPN7PPARG
SCHEMBL4414016 0.83 CCNB2 (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3175679 0.82 LMNA (0.54) LMNAACMSDALOX15PTPN7ALDH1A1
SCHEMBL3175689 0.82 LMNA (0.54) LMNAACMSDALOX15PTPN7ALDH1A1
SCHEMBL4680821 0.81 ALOX15 (0.53) LMNAALOX15PTPN7ALDH1A1KDM4E
SCHEMBL4680827 0.81 ALOX15 (0.53) LMNAALOX15PTPN7ALDH1A1KDM4E
SCHEMBL3165146 0.81 LMNA (0.53) LMNAACMSDALOX15PTPN7ALDH1A1
SCHEMBL9813016 0.81 LMNA (0.53) LMNAACMSDALOX15PTPN7ALDH1A1

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-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 CCNB2 4183/4885CDK1 3409/4885CDK4 2161/4885

“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.