SCHEMBL4414013

SCHEMBL4414013

O=[C]C=Cc1cccc(OCO)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.44
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CDK4 P11802 2/20 0.42
CCNB1 P14635 2/20 0.42
CCND1 P24385 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
LCK P06239 1/20 0.41
TLR4 O00206 6/20 0.40
TLR2 O60603 6/20 0.40
ACMSD Q8TDX5 1/20 0.40
MAOA P21397 8/20 0.40
MAOB P27338 8/20 0.40
FURIN P09958 1/20 0.39

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
SCHEMBL4414011 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PKMCCNB2
SCHEMBL11045213 0.84 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2PKMCCNB2
SCHEMBL11045209 0.84 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2PKMCCNB2
SCHEMBL11041121 0.81 TLR4 (0.55) KDM4EALDH1A1SMN1; SMN2CCNB2CDK1
SCHEMBL11041123 0.81 TLR4 (0.55) KDM4EALDH1A1SMN1; SMN2CCNB2CDK1
SCHEMBL17926721 0.79 TLR4 (0.46) KDM4EALDH1A1SMN1; SMN2PKMCCNB2
SCHEMBL4414016 0.79 CCNB2 (0.66) KDM4EALDH1A1SMN1; SMN2PKMCCNB2
SCHEMBL2119755 0.78 RELA (0.61) MAOB
SCHEMBL2119753 0.78 RELA (0.61) MAOB
SCHEMBL11045240 0.78 TLR4 (0.58) KDM4EALDH1A1SMN1; SMN2TLR4TLR2

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 1 patent. 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

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 KDM4E 1093/4885ALDH1A1 3901/4885SMN1; SMN2 4835/4885

“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.