SCHEMBL4663043

SCHEMBL4663043

CCCCC(C)C(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 7/20 0.43
DUSP3 P51452 6/20 0.43
CDC25A P30304 3/20 0.43
PTPN1 P18031 6/20 0.39
ACP1 P24666 4/20 0.39
HPSE Q9Y251 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN2 P17706 1/20 0.39
TSHR P16473 1/20 0.39
ELANE P08246 1/20 0.38
CTRC Q99895 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G6 O60733 2/20 0.37
PLA2G4A P47712 1/20 0.37
CDC25C P30307 1/20 0.36
CNR2 P34972 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
SCHEMBL4663046 1.00 CDC25B (0.43) CDC25BDUSP3CDC25APTPN1ACP1
SCHEMBL4664864 0.85 TSHR (0.38) CDC25BDUSP3CDC25ATSHRALDH1A1
SCHEMBL4663054 0.82 ALDH1A1 (0.39) CDC25BDUSP3CDC25ATSHRELANE
SCHEMBL4663052 0.82 ALDH1A1 (0.39) CDC25BDUSP3CDC25ATSHRELANE
SCHEMBL4663050 0.82 ALDH1A1 (0.39) CDC25BDUSP3CDC25ATSHRELANE
SCHEMBL4664865 0.81 ALDH1A1 (0.39) CDC25BDUSP3CDC25ATSHRALDH1A1
SCHEMBL4664874 0.81 ALDH1A1 (0.39) CDC25BDUSP3CDC25ATSHRALDH1A1
SCHEMBL4663310 0.80 CDC25B (0.39) CDC25BDUSP3CDC25APTPN1ACP1
SCHEMBL4666713 0.80 DUSP3 (0.38) CDC25BDUSP3CDC25AMAPTTSHR
SCHEMBL4666708 0.80 DUSP3 (0.38) CDC25BDUSP3CDC25AMAPTTSHR

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 6 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
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 CDC25B 3121/4885DUSP3 3878/4885CDC25A 2484/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CDC25B 3121/4885DUSP3 3878/4885CDC25A 2484/4885

“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.