SCHEMBL811637

SCHEMBL811637

CCOC(=O)Nc1cc(NC(=O)OCCOC(=O)Nc2ccc(C)c(NC(C)=O)c2)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.56
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 3/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 1/20 0.48
EGFR P00533 2/20 0.47
KDR P35968 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL14144110 0.94 NLRP3 (0.57) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL473082 0.90 NLRP3 (0.66) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL11085743 0.88 SMN1; SMN2 (0.57) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL26887084 0.86 NLRP3 (0.61) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL1026416 0.86 LMNA (0.61) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL11443749 0.85 NLRP3 (0.59) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL11399068 0.84 NLRP3 (0.58) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7563975 0.84 NLRP3 (0.58) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL11393542 0.84 NLRP3 (0.58) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL20414589 0.84 RAB9A (0.53) NLRP3LMNAALDH1A1MAPK1SMN1; SMN2

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-7863440-B2 Macrocyclic carbodiimides (MC-CDI) and their derivatives, syntheses and applications of the same GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2011-01-04 US disclosed
US-7863440-B2 Macrocyclic carbodiimides (MC-CDI) and their derivatives, syntheses and applications of the same GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2011-01-04 US disclosed
WO-2008081230-A1 MACROCYCLIC CARBODIIMIDE (MC-CDI) AND THEIR DERIVATIVES, SYNTHESES AND APPLICATIONS ON THE SAME GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (US) 2008-07-10 WO disclosed
US-20080161554-A1 Macrocyclic carbodiimides (MC-CDI) and their derivatives, syntheses and applications of the same GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2008-07-03 US disclosed
US-20080161554-A1 Macrocyclic carbodiimides (MC-CDI) and their derivatives, syntheses and applications of the same GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2008-07-03 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-20080161554-A1 Macrocyclic carbodiimides (MC-CDI) and their derivatives, syntheses and applications of the same ACMSD, PCNA, UROD NLRP3 4349/4885LMNA 3363/4885ALDH1A1 1907/4885

“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.