SCHEMBL10073128

SCHEMBL10073128

CCOCC(=O)NCCNC(=O)COC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
NAMPT P43490 2/20 0.42
SPR P35270 2/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2730627 0.87 SPR (0.49) ALDH1A1SPRHPGDHSD17B10TSHR
SCHEMBL18858805 0.86 HPGD (0.46) ALDH1A1NAMPTHPGDTSHRKDM4E
SCHEMBL25122848 0.83 MEN1 (0.44) ALDH1A1NAMPTSPRHPGDHSD17B10
SCHEMBL4692525 0.83 MCL1 (0.47) ALDH1A1NAMPTSPRHPGDHSD17B10
SCHEMBL24607163 0.83 MEN1 (0.56) ALDH1A1SPRHPGDHSD17B10TSHR
SCHEMBL15888695 0.82 ALDH1A1 (0.47) ALDH1A1SPRHPGDMAPTHSD17B10
SCHEMBL22856422 0.82 ALDH1A1 (0.47) ALDH1A1SPRHPGDMAPTHSD17B10
SCHEMBL15888693 0.82 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHR
SCHEMBL13492947 0.82 NAMPT (0.41) ALDH1A1NAMPTSPRHPGDHSD17B10
SCHEMBL14307931 0.81 RAB9A (0.44) ALDH1A1NAMPTSPRHPGDHSD17B10

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-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 US disclosed
US-8207228-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-06-26 US disclosed
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-12-04 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 (2 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-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU ALDH1A1 4794/4885NAMPT 2853/4885SPR 750/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU ALDH1A1 4794/4885NAMPT 2853/4885SPR 750/4885

“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.