SCHEMBL4081760

SCHEMBL4081760

CCCCCCCCCCCCCC(=O)[C@@]1(O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(O)C(=O)CCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.39
TYMP P19971 1/20 0.36
DUT P33316 5/20 0.34
P2RY14 Q15391 1/20 0.34
P2RY12 Q9H244 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G5 P39877 1/20 0.32
SLC6A1 P30531 2/20 0.32
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
SLC6A11 P48066 1/20 0.32

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
SCHEMBL5527658 0.84 P2RY14 (0.34) NT5EDUTP2RY14P2RY12CYP3A4
SCHEMBL8042949 0.79 NT5E (0.35) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL5531485 0.79 SLC28A1 (0.40) P2RY12P2RY2P2RY4
SCHEMBL4074082 0.79 SLC28A1 (0.40) P2RY12P2RY2P2RY4
SCHEMBL4083099 0.79 SLC28A1 (0.40) P2RY12P2RY2P2RY4
SCHEMBL4083526 0.79 SLC28A1 (0.40) P2RY12P2RY2P2RY4
SCHEMBL5978909 0.79 TYMP (0.42) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL4081765 0.78 TK2 (0.43) NT5ETYMPP2RY14P2RY12P2RY2
SCHEMBL6419737 0.78 TYMP (0.42) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL31467672 0.77 TYMP (0.45) NT5ETYMPDUTP2RY14CYP3A4

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-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed
US-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC 2006-10-26 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-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery ANXA6, STING1, POLRMT NT5E 887/4885TYMP 2413/4885DUT 2068/4885

“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.