SCHEMBL8888488

SCHEMBL8888488

COC(=O)c1ccc(COC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
NPC1 O15118 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 2/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.59
PKM P14618 1/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP4A11 Q02928 2/20 0.54

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
SCHEMBL7900127 0.91 SMN1; SMN2 (0.55) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL132773 0.84 ALDH1A1 (0.78) ALDH1A1KDM4EMAPK1HSD17B10CA2
SCHEMBL10989390 0.84 PTPN11 (0.49) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL23771906 0.84 SMN1; SMN2 (0.71) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL6665051 0.84 CA12 (0.65) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL14205555 0.84 ALDH1A1 (0.56) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL8823933 0.84 NPC1 (0.62) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL13329101 0.83 SMN1; SMN2 (0.57) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL20963533 0.82 NPC1 (0.50) ALDH1A1NPC1SMN1; SMN2KDM4EGAA
SCHEMBL7110777 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10

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
WO-2024123929-A1 DEVELOPMENT OF POTENT DUAL HDAC/BRD4 INHIBITORS BIOVENTURES, LLC (US) 2024-06-13 WO disclosed
EP-1084137-B1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ANGELETTI P IST RICHERCHE BIO (IT) 2009-02-18 EP disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-5614486-A DIETHYL 1,4-CYCLOHEXANEDICARBOXYLATE FIRMENICH SA (CH) 1997-03-25 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-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A ALDH1A1 2288/4885NPC1 129/4885SMN1; SMN2 1956/4885

“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.