SCHEMBL4147607

SCHEMBL4147607

CNCCCCOc1cccc(CC(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
NSD2 O96028 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.48
PLA2G4B P0C869 1/20 0.47
HTR1B P28222 1/20 0.46
CYP2D6 P10635 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC7A5 Q01650 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4591522 0.92 KDM4E (0.52) KDM4EALDH1A1GAANSD2SMN1; SMN2
SCHEMBL4577775 0.86 POLB (0.70) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL9402581 0.85 PLA2G4B (0.64) PLA2G4BCYP2D6KCNH2
SCHEMBL2767522 0.85 SLC7A5 (0.48) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL7804122 0.85 PLA2G4B (0.60) KDM4EALDH1A1GAAPLA2G4BCYP2D6
SCHEMBL13849587 0.84 LTA4H (0.51) KDM4EALDH1A1NSD2SMN1; SMN2CYP2D6
SCHEMBL3868045 0.83 SLC7A5 (0.47) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL3979830 0.83 SLC7A5 (0.47) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL3984588 0.83 SLC7A5 (0.50) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL3334714 0.83 ALDH1A1 (0.51) KDM4EALDH1A1GAASMN1; SMN2L3MBTL1

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 2809/4885ALDH1A1 115/4885GAA 3905/4885

“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.