SCHEMBL2348726

SCHEMBL2348726

CC(C)OC(C(=O)O)C(OC(C)C)C(O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TP53 P04637 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
SCHEMBL1196880 0.78 TP53 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL607461 0.78 TP53 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1196679 0.78 TP53 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL26940411 0.74 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL29342143 0.74 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL26940424 0.71 ALDH1A1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15279752 0.70 RNPEP (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL13143752 0.68 SLC1A3 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2115319 0.68 TP53 (0.42) TP53
SCHEMBL10591095 0.64 SLC1A3 (0.48) MMP1MMP2MMP3MMP9MMP13

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
US-8426617-B2 Asymmetric hydrogenation of alkenes using chiral iridium complexes DSM IP ASSETS B.V. (NL) 2013-04-23 US disclosed
EP-1828159-B1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS BV (NL) 2011-08-17 EP disclosed
US-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes DSM IP ASSETS B.V. (NL) 2008-02-14 US disclosed
EP-1828159-A1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSMIP Assets B.V. (NL) 2007-09-05 EP disclosed
WO-2006066863-A1 ASYMMETRIC HYDROGENATION OF ALKENNES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS B.V. (NL) 2006-06-29 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-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes SQLE, FADS1, FADS2 MMP1 3401/4885MMP2 4626/4885MMP3 3801/4885

“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.