SCHEMBL6308253

SCHEMBL6308253

O=C(CC(O)c1cccnc1)Oc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NOTUM Q6P988 2/20 0.47
MAPT P10636 1/20 0.41
KCNA5 P22460 2/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KMT2A Q03164 1/20 0.40
GRM5 P41594 2/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39

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
SCHEMBL6310298 0.86 MAPT (0.48) ALDH1A1MAPTKMT2ANPC1
SCHEMBL6311296 0.81 ALDH1A1 (0.41) KDM4EALDH1A1MAPTKCNA5ADRB1
SCHEMBL6310916 0.80 RAB9A (0.45) KDM4EUSP2ALDH1A1MAPTKCNA5
SCHEMBL6316514 0.77 ALOX15 (0.49) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL3114013 0.77 ALOX15 (0.49) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL3075817 0.76 ALOX15 (0.48) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL5929602 0.74 KCNA5 (0.57) KDM4EALDH1A1KCNA5ADRB1ADRB3
SCHEMBL5929610 0.74 KCNA5 (0.57) KDM4EALDH1A1KCNA5ADRB1ADRB3
SCHEMBL6308259 0.73 ALOX15 (0.53) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL8370146 0.73 OGG1 (0.50) ALOX15KDM4EALDH1A1MAPTKMT2A

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
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR ALOX15 518/4885KDM4E 1577/4885USP2 1410/4885

“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.