SCHEMBL4512633

SCHEMBL4512633

CC1(C)CC(=O)C(c2ccc(Cl)cc2Cl)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
DPP4 P27487 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL4499948 0.86 ALDH1A1 (0.34) GAATP53MAPTALDH1A1KMT2A
SCHEMBL4501688 0.81 ALDH1A1 (0.31) GAAMAPTALDH1A1HTTHTR2C
SCHEMBL10737556 0.80 KMT2A (0.47) GAAMAPK1TP53MAPTUSP2
SCHEMBL4500106 0.76 HTT (0.34) TP53HTT
SCHEMBL11223029 0.74 MAPK1 (0.42) GAAMAPK1TP53MAPTUSP2
SCHEMBL7769009 0.73 GAA (0.42) GAAMAPK1TP53MAPTUSP2
SCHEMBL7780304 0.72 TP53 (0.40) GAAMAPK1TP53MAPTUSP2
SCHEMBL10896846 0.71 GAA (0.46) GAATP53MAPTALDH1A1HTT
SCHEMBL11219061 0.71 HTR1A (0.42) GAATP53MAPTALDH1A1HTT
SCHEMBL12496757 0.70 PDE7A (0.45) GAATP53ALDH1A1HTT

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
US-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 US disclosed
EP-1276741-B1 PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE AND ITS USE AS PESTICIDE AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2008-12-31 EP disclosed
US-6974827-B2 Phenyl substituted 4-hydroxy tetrahydroxypyridone BAYER AKTIENGESELLSCHAFT (DE) 2005-12-13 US disclosed
US-20050256089-A1 Phenyl-substituted 4-hydroxy-tetrahydropyridones FISCHER REINER 2005-11-17 US disclosed
US-20030176464-A1 Phenyl substituted 4-hydroxy tetrahydroxypyridone BAYER AKTIENGESELLSCHAFT (DE) 2003-09-18 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-20030176464-A1 Phenyl substituted 4-hydroxy tetrahydroxypyridone CYP4X1, DDT, CYP1B1 GAA 1244/4885MAPK1 2537/4885TP53 2896/4885
US-20050256089-A1 Phenyl-substituted 4-hydroxy-tetrahydropyridones DDT, CYP4X1, CYP4B1 GAA 1030/4885MAPK1 4010/4885TP53 1386/4885

“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.