SCHEMBL16614382

SCHEMBL16614382

CCC#CC[C@@H](CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC15A1 P46059 2/20 0.38
MMP9 P14780 1/20 0.37
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.35
CDC25B P30305 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL18196801 0.84 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL16245288 0.81 SLC15A1 (0.44) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL20966567 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL22181023 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL16614401 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL18194637 0.77 PRSS1 (0.34) SMN1; SMN2
SCHEMBL18194645 0.77 PRSS1 (0.34) SMN1; SMN2
SCHEMBL16614311 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL20966572 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL1296194 0.76 ABCB1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1KLK7

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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 ALDH1A1 3849/4885MAPK1 1967/4885L3MBTL1 4273/4885

“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.