SCHEMBL4135562

SCHEMBL4135562

CNCCOc1cccc(CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
PLA2G4B P0C869 2/20 0.56
ALDH1A1 P00352 3/20 0.56
HTR1B P28222 2/20 0.56
NSD2 O96028 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTR1D P28221 1/20 0.56
PPARD Q03181 2/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
POLB P06746 1/20 0.48
NR1H3 Q13133 1/20 0.47
ACHE P22303 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PTPN11 Q06124 1/20 0.46

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
Hydrochloric Acid SCHEMBL4129206 0.99 KDM4E (0.56) KDM4EPLA2G4BALDH1A1HTR1BNSD2
SCHEMBL4591522 0.87 KDM4E (0.52) KDM4EPLA2G4BALDH1A1HTR1BNSD2
SCHEMBL25081992 0.86 PLA2G4B (0.62) PLA2G4BPPARDCYP4F2CYP4A11NR1H3
SCHEMBL30278809 0.86 PLA2G4B (0.62) PLA2G4BPPARDCYP4F2CYP4A11NR1H3
SCHEMBL4803459 0.86 PLA2G4B (0.49) KDM4EPLA2G4BALDH1A1NSD2SMN1; SMN2
SCHEMBL18294046 0.85 KDM4E (0.50) KDM4EALDH1A1HTR1BNSD2SMN1; SMN2
SCHEMBL25081990 0.84 PLA2G4B (0.68) KDM4EPLA2G4BALDH1A1PPARDGAA
SCHEMBL30278807 0.84 PLA2G4B (0.64) PLA2G4BPPARDCYP4F2CYP4A11NR1H3
SCHEMBL25081989 0.84 PLA2G4B (0.64) PLA2G4BPPARDCYP4F2CYP4A11NR1H3
SCHEMBL30278815 0.84 PLA2G4B (0.68) KDM4EPLA2G4BALDH1A1PPARDGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 KDM4E 2809/4885PLA2G4B 2485/4885ALDH1A1 115/4885

“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.