SCHEMBL2646779

SCHEMBL2646779

COC(=O)C(CC1CCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
GPR88 Q9GZN0 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
YAP1 P46937 2/20 0.46
ALOX5 P09917 1/20 0.46
MAOB P27338 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
ACACB O00763 1/20 0.45

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
SCHEMBL27108628 0.95 LTA4H (0.51) LTA4HSMN1; SMN2RAB9ANPC1YAP1
SCHEMBL2648890 0.88 KDM4E (0.49) SMN1; SMN2RAB9AKDM4EKMT2AALOX5
SCHEMBL1418963 0.85 SLC6A3 (0.50) KMT2A
SCHEMBL9147801 0.84 ALOX5 (0.52) SMN1; SMN2KDM4EKMT2AGPR88ALOX5
SCHEMBL2847366 0.83 KMT2A (0.51) LTA4HSMN1; SMN2KMT2AALOX5MAOB
SCHEMBL2648711 0.83 MME (0.46)
SCHEMBL3998594 0.82 KMT2A (0.49) KMT2AGPR88
SCHEMBL9556694 0.81 ALOX5 (0.63) ALOX5
SCHEMBL10422181 0.81 SMN1; SMN2 (0.53) LTA4HSMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL12703229 0.81 YAP1 (0.46) LTA4HSMN1; SMN2RAB9AKMT2AYAP1

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
EP-1282611-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6384220-B2 ANTIDIABETIC AGENTS INCREASING THE EXPRESSION OF GLUCOKINASE (GK) TO IMPROVE GLUCOSE TOLERANCE; INCREASE IN GLUCOSE EXPOSURE COUPLED THROUGH GK IN BETA-CELLS TO INCREASE INSULIN SECRETION AND IN HEPATOCYTES TO INCREASE GLYCOGEN DEPOSITION HOFFMANN-LA ROCHE INC. 2002-05-07 US disclosed
US-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators HOFFMANN-LA ROCHE INC. 2002-01-03 US disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 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-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators GCKR, GCK, PDXK LTA4H 3633/4885SMN1; SMN2 4302/4885RAB9A 3537/4885

“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.