SCHEMBL2650869

SCHEMBL2650869

COC(=O)C(CC1CCCC1)c1ccc(C#CCC(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GCK P35557 2/20 0.35
CTSK P43235 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 0.87 MMP2 (0.39) ACACBMMP2MMP9MMP12L3MBTL1
SCHEMBL2653001 0.87 MMP2 (0.41) ACACBMMP2MMP9MMP12GCK
SCHEMBL2650114 0.86 CYP2D6 (0.42) ACACBMMP2MMP9MMP12L3MBTL1
SCHEMBL2653693 0.84 ALDH1A1 (0.40) ACACBMMP2MMP9MMP12L3MBTL1
SCHEMBL2651572 0.81 GCK (0.38) ACACBMMP2MMP9MMP12L3MBTL1
SCHEMBL2647677 0.81 TSHR (0.46) ESR1ESR2CTSK
SCHEMBL2652587 0.80 MMP2 (0.43) MMP2
SCHEMBL2651185 0.80 ACACB (0.43) ACACBMMP2MMP9MMP12
SCHEMBL2651862 0.78 MMP2 (0.35) ACACBMMP2MMP9MMP12L3MBTL1
SCHEMBL2651162 0.78 ALDH1A1 (0.46) MMP2MMP9MMP12L3MBTL1

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 ACACB 183/4885MMP2 947/4885MMP9 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.