SCHEMBL4664809

SCHEMBL4664809

C/C(=C/CC(C)C(=O)C1=C(O)C(CC(C)C)OC1=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.35
PTPN1 P18031 4/20 0.35
ACP1 P24666 3/20 0.35
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
DUSP3 P51452 2/20 0.31
CDC25A P30304 1/20 0.31
BCL2 P10415 1/20 0.30
BCL2L2 Q92843 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
PTPN2 P17706 1/20 0.30
HPSE Q9Y251 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
SCHEMBL4664817 1.00 CDC25B (0.35) CDC25BPTPN1ACP1LTB4RLTB4R2
SCHEMBL4664814 1.00 CDC25B (0.35) CDC25BPTPN1ACP1LTB4RLTB4R2
SCHEMBL4664914 0.77 TDP1 (0.39) CDC25BPTPN1ACP1DUSP3CDC25A
SCHEMBL4662983 0.76 PTPN1 (0.35) CDC25BPTPN1ACP1DUSP3ALDH1A1
SCHEMBL4663061 0.76 LMNA (0.47) CDC25BPTPN1ACP1DUSP3CDC25A
SCHEMBL4663032 0.73 PTPN1 (0.40) CDC25BPTPN1ACP1DUSP3CDC25A
SCHEMBL4662955 0.72 DUSP3 (0.41) CDC25BDUSP3CDC25A
SCHEMBL4666793 0.71 MTNR1A (0.41) LTB4RLTB4R2ALDH1A1HPGDMAPT
SCHEMBL4666799 0.71 MTNR1A (0.41) LTB4RLTB4R2ALDH1A1HPGDMAPT
SCHEMBL4666803 0.71 MTNR1A (0.41) LTB4RLTB4R2ALDH1A1HPGDMAPT

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

“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.