SCHEMBL4423362

SCHEMBL4423362

CCCCC(=O)CCCCCCC(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
CYP1A2 P05177 1/20 0.55
PAM P19021 2/20 0.55
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.50
DNM1 Q05193 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.48
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46

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
SCHEMBL1037482 0.98 DGKA (0.57) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL19526514 0.96 DGKA (0.67) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL17483944 0.96 DGKA (0.67) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL19526454 0.96 DGKA (0.67) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL17483943 0.96 DGKA (0.67) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL8813277 0.96 DGKA (0.67) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL11131821 0.94 DGKA (0.64) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL8466386 0.94 CYP1A2 (0.57) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL11356300 0.94 CYP1A2 (0.61) DGKACYP1A2PAMMAPTKMT2A
SCHEMBL4382341 0.94 CYP1A2 (0.61) DGKACYP1A2PAMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691845-A4 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-02-25 EP disclosed
EP-1691845-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE Bristol-Myers Squibb Pharma Company (US) 2006-08-23 EP disclosed
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 US disclosed
WO-2005023314-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-17 WO 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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 DGKA 3332/4885CYP1A2 2489/4885PAM 1695/4885

“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.