SCHEMBL6316514

SCHEMBL6316514

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NOTUM Q6P988 1/20 0.44
KCNA5 P22460 1/20 0.43
KMT2A Q03164 3/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OGG1 O15527 1/20 0.40
GRM5 P41594 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
RORC P51449 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6310855 0.86 CYP19A1 (0.46) ALOX15ALDH1A1USP2KMT2AMAPK1
SCHEMBL6310860 0.86 MAPT (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL3075817 0.85 ALOX15 (0.48) ALOX15ALDH1A1KDM4EUSP2NPSR1
SCHEMBL6310768 0.81 NPY5R (0.49) ALDH1A1KCNA5L3MBTL1PTGS1
SCHEMBL3072339 0.79 TSHR (0.47) ALOX15ALDH1A1KDM4EUSP2NPSR1
SCHEMBL6308253 0.77 ALOX15 (0.50) ALOX15ALDH1A1KDM4EUSP2NPSR1
SCHEMBL3114013 0.76 ALOX15 (0.49) ALOX15ALDH1A1KDM4EUSP2NPSR1
SCHEMBL6308259 0.75 ALOX15 (0.53) ALOX15ALDH1A1KDM4EUSP2NPSR1
SCHEMBL3078379 0.74 ALDH1A1 (0.53) ALOX15ALDH1A1KDM4EUSP2NPSR1
SCHEMBL9875360 0.73 OGG1 (0.54) ALOX15ALDH1A1KDM4EKMT2AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 518/4885ALDH1A1 99/4885KDM4E 1577/4885

“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.