SCHEMBL3393075

SCHEMBL3393075

COc1ccc(/C(=C\C2CCOCC2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
USP2 O75604 2/20 0.45
MAPT P10636 2/20 0.45
ALOX12 P18054 1/20 0.45
POLB P06746 1/20 0.44
AKR1C3 P42330 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PABPC1 P11940 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KDM2B Q8NHM5 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
GCK P35557 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 2/20 0.41

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
SCHEMBL3393082 1.00 ALDH1A1 (0.45) ALDH1A1USP2MAPTALOX12POLB
SCHEMBL3390564 0.81 NPC1 (0.41) ALDH1A1MAPTPOLBAKR1C3CA1
SCHEMBL2665989 0.81 GCK (0.41) GCKKMT2A
SCHEMBL3390559 0.81 NPC1 (0.41) ALDH1A1MAPTPOLBAKR1C3CA1
SCHEMBL3389287 0.81 AKR1C3 (0.47) ALDH1A1MAPTAKR1C3RAB9AKDM4E
SCHEMBL3389283 0.81 AKR1C3 (0.47) ALDH1A1MAPTAKR1C3RAB9AKDM4E
SCHEMBL2650569 0.80 GCK (0.61) AKR1C3GCK
SCHEMBL2652352 0.80 GCK (0.61) AKR1C3GCK
SCHEMBL2665988 0.78 GCK (0.39) GCKKMT2A
SCHEMBL2652233 0.77 GCK (0.48) AKR1C3GCKCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 ALDH1A1 1846/4885USP2 4569/4885MAPT 1611/4885

“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.