SCHEMBL4081765

SCHEMBL4081765

CCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCC)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK2 O00142 5/20 0.43
TYMP P19971 1/20 0.42
P2RY14 Q15391 2/20 0.40
P2RY12 Q9H244 3/20 0.39
P2RY2 P41231 4/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RY6 Q15077 2/20 0.36
NT5E P21589 1/20 0.36
GAPDH P04406 1/20 0.36

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
SCHEMBL12371804 0.92 TYMP (0.40) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL18286616 0.92 TYMP (0.40) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL12371805 0.91 TYMP (0.41) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL18286621 0.90 TYMP (0.39) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL30733450 0.89 TYMP (0.38) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL30733464 0.89 TYMP (0.38) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL9908655 0.89 TYMP (0.38) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL30733474 0.89 TYMP (0.38) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL30733458 0.89 TYMP (0.38) TK2TYMPP2RY14P2RY12P2RY2
SCHEMBL26502740 0.88 TYMP (0.47) TYMPP2RY14P2RY12P2RY2MEN1

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 TK2 760/4885TYMP 2413/4885P2RY14 3315/4885

“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.