SCHEMBL25964438

SCHEMBL25964438

CCCCOC(=O)CC[C@@H](N=C=O)C(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 2/20 0.36
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 0.35
EPHX2 P34913 1/20 0.35
NOD1 Q9Y239 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 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
SCHEMBL25964471 1.00 DGKA (0.42) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL21891970 1.00 DGKA (0.42) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL16710359 0.87 ALDH1A1 (0.42) NAAAALDH1A1ATMTSHRCYP3A4
SCHEMBL10451644 0.87 ALDH1A1 (0.42) NAAAALDH1A1ATMTSHRCYP3A4
SCHEMBL23130411 0.85 L3MBTL1 (0.39) DGKAALDH1A1ATMTSHRCYP3A4
SCHEMBL11438850 0.84 MAPT (0.43) DGKANAAAALDH1A1ATMTSHR
SCHEMBL11625761 0.81 L3MBTL1 (0.46) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL6896191 0.81 L3MBTL1 (0.46) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL6833546 0.80
SCHEMBL23130167 0.80

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-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING RIGSHOSPITALET (DK) 2023-06-29 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-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING KLK3, FOLH1, PSMA7 DGKA 2795/4885HTR2C 3333/4885NAAA 494/4885

“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.