SCHEMBL5480927

SCHEMBL5480927

C#CCC1(C(=O)OCC)CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
F10 P00742 1/20 0.36
POLB P06746 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL16699602 0.82 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL12346101 0.81 ALDH1A1 (0.38) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL11345857 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL16730865 0.79 MEN1 (0.43) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL2289682 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL609232 0.78 CYP4F2 (0.50) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL1691128 0.77 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL609248 0.76 CYP4F2 (0.49) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL425037 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL1633342 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG SMN1; SMN2 3980/4885MEN1 4406/4885KMT2A 2463/4885

“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.