SCHEMBL4157436

SCHEMBL4157436

CCCCCCCCCCCCCCCCC(=O)Oc1c(-c2ccccc2)oc2cc(O)c(C(=O)CCCCCCCCCCCCCCCC)c(OC(=O)CCCCCCCCCCCCCCCC)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.47
ABCB1 P08183 1/20 0.45
ELANE P08246 5/20 0.43
ALOX5 P09917 2/20 0.43
FFAR1 O14842 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
POLH Q9Y253 1/20 0.41
EGFR P00533 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
SCHEMBL4161329 1.00 ADORA3 (0.47) ADORA3ABCB1ELANEALOX5FFAR1
SCHEMBL4164241 1.00 ADORA3 (0.47) ADORA3ABCB1ELANEALOX5FFAR1
SCHEMBL4169488 0.99 ADORA3 (0.48) ADORA3ABCB1ELANEALOX5FFAR1
SCHEMBL4157369 0.92 POLH (0.46) ABCB1ELANEALOX5POLH
SCHEMBL4165827 0.92 POLH (0.46) ABCB1ELANEALOX5POLH
SCHEMBL4152386 0.92 POLH (0.46) ABCB1ELANEALOX5POLH
SCHEMBL4165750 0.91 POLH (0.47) ABCB1ELANEALOX5POLH
SCHEMBL4161068 0.86 ABCB1 (0.63) ADORA3ABCB1MEN1MAPTHTT
SCHEMBL4163581 0.86 ABCB1 (0.63) ADORA3ABCB1MEN1MAPTHTT
SCHEMBL4166839 0.86 ABCB1 (0.63) ADORA3ABCB1MEN1MAPTHTT

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-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 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-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 ADORA3 2776/4885ABCB1 1605/4885ELANE 742/4885

“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.