SCHEMBL2650870

SCHEMBL2650870

O=C(O)C(CC1CCCC1)c1ccc(C#CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP12 P39900 2/20 0.44
MMP9 P14780 1/20 0.44
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GCK P35557 2/20 0.34
LMNA P02545 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
GPR88 Q9GZN0 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
SCHEMBL2651907 0.85 MMP2 (0.39) MMP2MMP12MMP9L3MBTL1GCK
SCHEMBL2651839 0.85 CYP2D6 (0.45) MMP2MMP12MMP9APPPSEN1
SCHEMBL2653001 0.85 MMP2 (0.41) MMP2MMP12MMP9FFAR1GCK
SCHEMBL2651218 0.85 ALDH1A1 (0.45) MMP2MMP12MMP9APPPSEN1
SCHEMBL2651230 0.85 MMP2 (0.41) MMP2MMP12MMP9APPPSEN1
SCHEMBL2652113 0.82 MEN1 (0.44) MMP2MMP12MMP9RAB9ALMNA
SCHEMBL2645029 0.82 TSHR (0.41) MMP2MMP12MMP9FFAR1NPC1
SCHEMBL2651504 0.81 MMP2 (0.44) MMP2MMP12MMP9NPC1RAB9A
SCHEMBL2651804 0.79 ALDH1A1 (0.49) MMP2MMP12MMP9FFAR1FFAR4
SCHEMBL2651180 0.78 MMP2 (0.40) MMP2MMP12MMP9APPPSEN1

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-1282612-B1 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1282612-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6388071-B2 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
US-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. 2001-12-20 US disclosed
WO-2001083465-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators GCK, GCKR, HK2 MMP2 947/4885MMP12 3268/4885MMP9 2931/4885

“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.