SCHEMBL4293687

SCHEMBL4293687

O=c1[nH]ccc(O)c1C1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
SYNJ2 O15056 1/20 0.45
L3MBTL1 Q9Y468 6/20 0.44
CYP1A2 P05177 1/20 0.44
APEX1 P27695 4/20 0.44
MGAM O43451 1/20 0.44
GUSB P08236 1/20 0.44
MMP9 P14780 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43

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
SCHEMBL30531179 0.78 KDM4E (0.54) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL16620686 0.77 SLC5A2 (0.40) ALDH1A1SLC5A2PNP
SCHEMBL9293545 0.77 SLC5A2 (0.40) ALDH1A1SLC5A2PNP
SCHEMBL1998975 0.77 SLC5A2 (0.40) ALDH1A1SLC5A2PNP
SCHEMBL1022027 0.77 SLC5A2 (0.40) ALDH1A1SLC5A2PNP
SCHEMBL6915520 0.75 SYNJ2 (0.41) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL6915512 0.75 SYNJ2 (0.41) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL3786766 0.71 SLC5A2 (0.47) KDM4EALDH1A1CYP1A2MAPTSLC5A2
SCHEMBL1444855 0.71 SLC5A2 (0.47) KDM4EALDH1A1CYP1A2MAPTSLC5A2
SCHEMBL16620205 0.71 UMPS (0.44) KDM4ECYP1A2MAPTPNP

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-20090258843-A1 Compositions Containing Antiviral Compounds and Methods of Using the Same MALLINCKRODT INC. (US) 2009-10-15 US 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-20090258843-A1 Compositions Containing Antiviral Compounds and Methods of Using the Same EIF2AK2, MAVS, IRF3 KDM4E 3033/4885ALDH1A1 3014/4885TDP1 3846/4885

“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.