SCHEMBL4663076

SCHEMBL4663076

CC(C)CC1OC(=O)C(C(=O)CC2C=CCC2)=C1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.36
ACP1 P24666 5/20 0.36
CDC25B P30305 5/20 0.36
DUSP3 P51452 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
PTPN2 P17706 1/20 0.36
HPSE Q9Y251 1/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL4664905 0.78 PTPN1 (0.39) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4663314 0.75 PTPN1 (0.44) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4664706 0.72 PTPN1 (0.49) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4662962 0.72 HTR2A (0.39) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4664922 0.72 PTPN1 (0.35) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4663032 0.72 PTPN1 (0.40) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4666703 0.72 HPGD (0.37) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4666751 0.70 PTPN1 (0.47) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4664770 0.70 PTPN1 (0.39) PTPN1ACP1CDC25BDUSP3TDP1
SCHEMBL4662939 0.70 PTPN1 (0.37) PTPN1ACP1CDC25BDUSP3TDP1

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 PTPN1 2489/4885ACP1 2849/4885CDC25B 3121/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 PTPN1 2489/4885ACP1 2849/4885CDC25B 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.