SCHEMBL2913428

SCHEMBL2913428

COC(C[C@H](CC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 2/20 0.35
MMP2 P08253 4/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL2913434 1.00 MMP12 (0.39) MMP12NPC1MAPTMMP2MMP3
SCHEMBL12787299 0.87 TSHR (0.38) NPC1TSHR
SCHEMBL10562143 0.85 MAPT (0.36) MMP12MAPTMMP2MMP3MMP9
SCHEMBL10433826 0.85 MAPT (0.36) MMP12MAPTMMP2MMP3MMP9
SCHEMBL25175870 0.83 MAPT (0.38) MMP12MAPTMMP2MMP3HTT
SCHEMBL8952823 0.83 MAPT (0.38) MMP12MAPTMMP2MMP3HTT
SCHEMBL8952810 0.83 MAPT (0.38) MMP12MAPTMMP2MMP3HTT
SCHEMBL9828488 0.83 MAPT (0.35) MMP12MAPTMMP2MMP3HTT
SCHEMBL10433967 0.83 MAPT (0.35) MMP12MAPTMMP2MMP3HTT
SCHEMBL12268284 0.83 MAPT (0.39) MMP12MAPTMMP2MMP3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP 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-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES HMGCR, DPYD, FDPS MMP12 3662/4885NPC1 334/4885MAPT 2399/4885

“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.