SCHEMBL4669396

SCHEMBL4669396

CC(C)(C)OC(=O)CC(=O)CC(COCc1ccccc1)OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.41
KLK5 Q9Y337 3/20 0.41
PPARA Q07869 2/20 0.40
CTSS P25774 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PPARG P37231 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GHSR Q92847 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL8659117 0.89 LMNA (0.39) CTSSAPOBEC3AAPOBEC3GCYP1A2SLC6A3
SCHEMBL8661249 0.84 LMNA (0.43) CTSSAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL5744906 0.81 PPARA (0.49) KLK7KLK5PPARACTSSAPOBEC3A
SCHEMBL8662057 0.77 CA1 (0.39) CTSSAPOBEC3AAPOBEC3G
SCHEMBL9422665 0.77 CTSS (0.40) CTSSAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL9517893 0.76 CA1 (0.38) CTSSAPOBEC3AAPOBEC3G
SCHEMBL25244453 0.76 POLB (0.37) APOBEC3AAPOBEC3G
SCHEMBL25243094 0.76 POLB (0.37) APOBEC3AAPOBEC3G
SCHEMBL25287341 0.76 POLB (0.37) APOBEC3AAPOBEC3G
SCHEMBL5829155 0.75 PPARA (0.51) KLK7KLK5PPARACTSSPPARG

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
EP-1439162-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORP (JP) 2008-03-26 EP disclosed
US-6998495-B2 Method for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2006-02-14 US disclosed
US-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2004-12-16 US disclosed
EP-1439162-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-07-21 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-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative HAO2, GRHPR, HDHD5 KLK7 3735/4885KLK5 3352/4885PPARA 1774/4885

“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.