SCHEMBL4501688

SCHEMBL4501688

CC1(C)CC(=O)C(c2c(Cl)cc(Cl)cc2Cl)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES1 P23141 2/20 0.31
HTR6 P50406 2/20 0.31
PGR P06401 1/20 0.31
PDE7A Q13946 1/20 0.31
GAA P10253 1/20 0.31
DNMT1 P26358 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL4500106 0.91 HTT (0.34) HTTCES1
SCHEMBL4512633 0.81 GAA (0.46) ALDH1A1HTTMAPTGAAHTR2C
SCHEMBL4503903 0.80 HTT (0.33) HTT
SCHEMBL4495559 0.78
SCHEMBL4499948 0.73 ALDH1A1 (0.34) ALDH1A1MAPTHTR6GAA
SCHEMBL11212064 0.70 PKM (0.41) ALDH1A1HTTMAPTL3MBTL1CES1
SCHEMBL11224153 0.70 ALDH1A1 (0.38) ALDH1A1HTTMAPTL3MBTL1HTR6
SCHEMBL11232896 0.68 PDE7A (0.38) PDE7A
SCHEMBL10911402 0.67 MAPT (0.38) ALDH1A1HTTMAPTGAA
SCHEMBL6314284 0.66 L3MBTL1 (0.34) L3MBTL1CES1

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 ALDH1A1 88/4885HTT 129/4885MAPT 2916/4885
US-20050256089-A1 Phenyl-substituted 4-hydroxy-tetrahydropyridones DDT, CYP4X1, CYP4B1 ALDH1A1 297/4885HTT 48/4885MAPT 2271/4885

“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.