SCHEMBL6530713

SCHEMBL6530713

COc1ccc(C(OC(F)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@@](O)(OC)[C@@H]2OP(N)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TYMP P19971 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33
PDE9A O76083 2/20 0.33
HPGD P15428 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL6530428 0.82 ADORA2B (0.40) TYMPADORA2AADORA2B
SCHEMBL6531278 0.78 CYP3A4 (0.32) TYMP
SCHEMBL6530225 0.77 PDE4D (0.33) TYMP
SCHEMBL9116775 0.77 KDM4E (0.42) KDM4ETYMPTAAR1PDE9AHPGD
SCHEMBL30396329 0.76 TYMP (0.51) KDM4ETYMPTAAR1PDE9AHPGD
SCHEMBL21750418 0.75 TYMP (0.52) KDM4ETYMPHPGDTAS1R3TAS1R1
SCHEMBL22577545 0.75 TYMP (0.52) KDM4ETYMPHPGDTAS1R3TAS1R1
SCHEMBL20773183 0.75 TYMP (0.43) KDM4ETYMPTAAR1PDE9AHPGD
SCHEMBL30679321 0.74 TYMP (0.57) KDM4ETYMPTAS1R3TAS1R1
SCHEMBL18490308 0.74 TYMP (0.60) KDM4ETYMPTAS1R3TAS1R1

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-20050266422-A1 Fluoroalkoxy, nucleosides, nucleotides, and polynucleotides SIRNA THERAPEUTICS, INC. (US) 2005-12-01 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-20050266422-A1 Fluoroalkoxy, nucleosides, nucleotides, and polynucleotides NSUN3, IRF3, SNRPF KDM4E 4548/4885TYMP 598/4885TAAR1 1251/4885

“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.