SCHEMBL4662950

SCHEMBL4662950

CSC(C)CC1OC(=O)C(C(=O)CC(C)c2ccccc2)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 5/20 0.36
ACP1 P24666 4/20 0.36
CDC25B P30305 4/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN2 P17706 1/20 0.36
DUSP3 P51452 1/20 0.36
HPSE Q9Y251 1/20 0.36
FFAR1 O14842 1/20 0.34
POLB P06746 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
BCHE P06276 1/20 0.33
AOC3 Q16853 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4664941 0.92 PTPN1 (0.36) HPGDCYP3A4PTPN1ACP1CDC25B
SCHEMBL4665112 0.89 HPGD (0.39) HPGDRAB9ACYP3A4CYP2C19PTPN1
SCHEMBL4664709 0.83 CDC25B (0.33) RAB9APTPN1ACP1CDC25BMAPT
SCHEMBL4664926 0.83 L3MBTL1 (0.36) RAB9APTPN1ACP1CDC25BMAPT
SCHEMBL4664790 0.81 POLB (0.39) HPGDRAB9ACYP3A4CYP2C19PTPN1
SCHEMBL4664794 0.81 POLB (0.39) HPGDRAB9ACYP3A4CYP2C19PTPN1
SCHEMBL4664788 0.81 POLB (0.39) HPGDRAB9ACYP3A4CYP2C19PTPN1
SCHEMBL4663030 0.81 PTPN1 (0.41) RAB9APTPN1ACP1CDC25BMAPT
SCHEMBL4664770 0.80 PTPN1 (0.39) CYP3A4PTPN1ACP1CDC25BMAPT
SCHEMBL4664877 0.80 LMNA (0.44) PTPN1ACP1CDC25BDUSP3POLB

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 HPGD 4570/4885RAB9A 788/4885CYP3A4 2131/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HPGD 4570/4885RAB9A 788/4885CYP3A4 2131/4885

“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.