SCHEMBL31072235

SCHEMBL31072235

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1cc(I)c(O)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PCNA P12004 4/20 0.47
NPSR1 Q6W5P4 1/20 0.45
BACE1 P56817 1/20 0.45
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45
POLB P06746 2/20 0.44
CHRND Q07001 5/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
LNPEP Q9UIQ6 1/20 0.42

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
SCHEMBL13123764 1.00 ALDH1A1 (0.48) ALDH1A1PCNANPSR1BACE1MDM4
SCHEMBL24091032 0.97 ALDH1A1 (0.46) ALDH1A1PCNANPSR1BACE1MDM4
SCHEMBL24091040 0.95 PCNA (0.54) ALDH1A1PCNANPSR1BACE1MDM4
SCHEMBL13938296 0.91 ALDH1A1 (0.46) ALDH1A1PCNANPSR1BACE1MDM4
SCHEMBL21884113 0.91 ALDH1A1 (0.46) ALDH1A1PCNANPSR1BACE1MDM4
SCHEMBL29352083 0.90 ALDH1A1 (0.50) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL21466071 0.90 ALDH1A1 (0.50) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL4403610 0.90 BACE1 (0.43) ALDH1A1PCNANPSR1BACE1MDM4
SCHEMBL16021248 0.90 FOLH1 (0.47) ALDH1A1PCNAPOLB
Bicarbonate SCHEMBL30452528 0.88 MDM4 (0.51) ALDH1A1NPSR1BACE1MDM4MDM2

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-20240301134-A1 POLYMERIC BIOMATERIALS DERIVED FROM PHENOLIC MONOMERS AND THEIR MEDICAL USES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-09-12 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-20240301134-A1 POLYMERIC BIOMATERIALS DERIVED FROM PHENOLIC MONOMERS AND THEIR MEDICAL USES TH, TYR, MYB ALDH1A1 2408/4885PCNA 527/4885NPSR1 1077/4885

“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.