SCHEMBL3075817

SCHEMBL3075817

O=C(Oc1cccc(Cl)c1)C(c1ccccc1)C(O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NOTUM Q6P988 1/20 0.43
KCNA5 P22460 3/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 1/20 0.40
KMT2A Q03164 1/20 0.39
GRM5 P41594 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 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
SCHEMBL3071313 0.87 CYP19A1 (0.44) ALOX15KDM4EUSP2ALDH1A1SLC6A2
SCHEMBL3072339 0.85 TSHR (0.47) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL6316514 0.85 ALOX15 (0.49) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL3079297 0.83 KCNA5 (0.46) KCNA5KMT2A
SCHEMBL3068944 0.83 RAB9A (0.45) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3074125 0.82 SMN1; SMN2 (0.43) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3067391 0.80 KMT2A (0.51) KDM4EALDH1A1NPSR1KCNA5SMN1; SMN2
SCHEMBL3074237 0.80 SMN1; SMN2 (0.43) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3078379 0.78 ALDH1A1 (0.53) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL6308253 0.76 ALOX15 (0.50) ALOX15KDM4EUSP2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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 (2 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
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALOX15 291/4885KDM4E 3692/4885USP2 3020/4885

“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.