SCHEMBL8767803

SCHEMBL8767803

CNC(CCCO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TGFBR1 P36897 3/20 0.35
FOLH1 Q04609 6/20 0.35
NAALAD2 Q9Y3Q0 3/20 0.34
RIMKLA Q8IXN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL8767807 1.00 NOD1 (0.37) NOD1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL20905719 0.93 FOLH1 (0.37) NOD1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5220096 0.93 FOLH1 (0.37) NOD1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4745785 0.86
SCHEMBL21621515 0.86
SCHEMBL1082586 0.86 NOD1 (0.43) NOD1FOLH1NAALAD2RIMKLAKDM4E
SCHEMBL4745784 0.86
SCHEMBL201058 0.82 CA2 (0.50) NOD1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL429475 0.82 CA2 (0.50) NOD1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL288045 0.82 CA2 (0.50) NOD1CHRM1AKR1A1CHRM3HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-0581429-B1 Process for synthesizing cyclic depsipeptides TAKARA SHUZO CO (JP) 1997-09-03 EP disclosed
EP-0581429-A2 Process for synthesizing cyclic depsipeptides TAKARA SHUZO CO. LTD. (JP) 1994-02-02 EP 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP NOD1 4309/4885CHRM1 3894/4885AKR1A1 3328/4885

“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.