SCHEMBL4414016

SCHEMBL4414016

O=C/C=C/c1cccc(OCO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.66
CDK1 P06493 3/20 0.66
CDK4 P11802 3/20 0.66
CCNB1 P14635 3/20 0.66
CCND1 P24385 3/20 0.66
CCNB3 Q8WWL7 3/20 0.66
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOA P21397 8/20 0.44
MAOB P27338 8/20 0.44
XDH P47989 2/20 0.43
LCK P06239 1/20 0.42
TLR4 O00206 3/20 0.41
TLR2 O60603 3/20 0.41

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
SCHEMBL9035424 0.83 CCNB2 (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL9035429 0.83 CCNB2 (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4683688 0.83 CCNB2 (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4683690 0.83 CCNB2 (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2871692 0.82 MAOA (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8709017 0.81 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8709013 0.81 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6339806 0.81 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6339803 0.81 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18587010 0.80 CCNB2 (0.61) CCNB2CDK1CDK4CCNB1CCND1

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-20090324750-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN EXTRACT OF PSEUDOLYSIMACHION LONGIFOLIUM AND THE CATALPOL DERIVATIVES ISOLATED THEREFROM HAVING ANTIINFLAMMATORY, ANTIALLERGIC AND ANTIASTHMATIC ACTIVITY KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-31 US claimed
CN-1279053-C Modulators for beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARM INC (US) 2006-10-11 CN disclosed
CN-1362967-A D-amino acid-containing regulator of beta-amyloid peptide aggregation PRAECIS PHARM INC (US) 2002-08-07 CN 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-20090324750-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN EXTRACT OF PSEUDOLYSIMACHION LONGIFOLIUM AND THE CATALPOL DERIVATIVES ISOLATED THEREFROM HAVING ANTIINFLAMMATORY, ANTIALLERGIC AND ANTIASTHMATIC ACTIVITY IL4, IL5, MMP13 CCNB2 4613/4885CDK1 4236/4885CDK4 3826/4885

“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.