SCHEMBL4662955

SCHEMBL4662955

CC(C)CC1OC(=O)C(C(=O)C(C)Cc2ccc(Cl)cc2)=C1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 4/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
NPY5R Q15761 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 6/20 0.34
PPARA Q07869 6/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MC4R P32245 2/20 0.34
ACACB O00763 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL4663287 0.86 TP53 (0.37) ACACB
SCHEMBL4666711 0.84 DUSP3 (0.38) DUSP3CDC25ACDC25BNPY5RPPARG
SCHEMBL4666713 0.84 DUSP3 (0.38) DUSP3CDC25ACDC25BNPY5RPPARG
SCHEMBL4666708 0.84 DUSP3 (0.38) DUSP3CDC25ACDC25BNPY5RPPARG
SCHEMBL4662991 0.84 DUSP3 (0.43) DUSP3CDC25ACDC25B
SCHEMBL4663271 0.77 TP53 (0.35) ACACB
SCHEMBL4662983 0.76 PTPN1 (0.35) DUSP3CDC25B
SCHEMBL4664914 0.74 TDP1 (0.39) DUSP3CDC25ACDC25B
SCHEMBL4663095 0.73 ALDH1A1 (0.40) ACACB
SCHEMBL4663092 0.73 ALDH1A1 (0.40) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 DUSP3 3878/4885CDC25A 2484/4885CDC25B 3121/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 DUSP3 3878/4885CDC25A 2484/4885CDC25B 3121/4885

“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.