SCHEMBL3070733

SCHEMBL3070733

NC(=O)[C@@H](O)[C@@H](O)[C@H](OCCc1ccc(O)cc1)[C@@H](OCCc1ccc(O)cc1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TYR P14679 1/20 0.36
CA2 P00918 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3077340 0.76 PGD (0.31)
SCHEMBL3080212 0.76 PGD (0.31)
SCHEMBL3084980 0.75 SLC1A3 (0.37) CYP2C19MAOBKMT2A
SCHEMBL3087110 0.72
SCHEMBL3070738 0.68 GLI1 (0.43) CA2ESR1ESR2TRPV1KDM4E
SCHEMBL8758151 0.66 MET (0.56) METCA12CA1CA4CA6
SCHEMBL274512 0.65 ESR1 (0.48) CA2ESR1ESR2NPC1MAPT
SCHEMBL3081598 0.64 DDAH1 (0.34)
SCHEMBL9725762 0.64 ESR1 (0.52) CA2ESR1ESR2NPC1MAPT
SCHEMBL1586370 0.62 SLC7A5 (0.49) CA2ESR1ESR2TRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790926-B2 Alpha, omega-difunctional aldaramides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-07 US disclosed
US-7351862-B2 Alpha, omega-difunctional aldaramides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-01 US disclosed
EP-1853554-A2 ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-14 EP disclosed
US-20060258886-A1 Alpha, omega-difuctional aldaramides E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-16 US disclosed
WO-2006091902-A2 ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 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-20060258886-A1 Alpha, omega-difuctional aldaramides FADS2, FASN, DEGS1 MET 2958/4885CA12 3316/4885CA1 2001/4885

“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.