SCHEMBL4662965

SCHEMBL4662965

O=C(Cc1coc2ccc(Cl)cc12)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NQO2 P16083 1/20 0.33
MDM2 Q00987 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
BDKRB1 P46663 1/20 0.32
METTL3 Q86U44 1/20 0.32

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
SCHEMBL4665106 0.73 MTNR1A (0.44) ALDH1A1KDM4EMEN1LMNAHPGD
SCHEMBL4664878 0.73 MTNR1A (0.42) ALDH1A1HSD17B10TP53MEN1LMNA
SCHEMBL4662982 0.71 TP53 (0.42) KDM4ETP53MEN1LMNAKMT2A
SCHEMBL4664996 0.71 LMNA (0.40) TP53MEN1LMNAHPGDKMT2A
SCHEMBL4664963 0.70 HTT (0.43) ALDH1A1KDM4EHSD17B10TP53MEN1
SCHEMBL4664946 0.69 NPC1 (0.41) ALDH1A1LMNAMDM2
SCHEMBL4664684 0.69 PTPN1 (0.43) ALDH1A1HSD17B10TP53MEN1LMNA
SCHEMBL4663002 0.68 LMNA (0.44) ALDH1A1HSD17B10TP53MEN1LMNA
SCHEMBL4663221 0.68 RXFP1 (0.51) ALDH1A1TP53MEN1LMNAKMT2A
SCHEMBL4664733 0.68 BCHE (0.41) ALDH1A1KDM4ETP53MEN1LMNA

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 KCNH2 995/4885ALDH1A1 2826/4885KDM4E 3412/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 KCNH2 995/4885ALDH1A1 2826/4885KDM4E 3412/4885

“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.