SCHEMBL4664758

SCHEMBL4664758

O=C(CC(c1ccccc1)c1ccccc1)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4666716 0.91 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AHPGDGAA
SCHEMBL4663356 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL4665007 0.84 ALDH1A1 (0.42) ALDH1A1ACHEKMT2AUSP2KDM4E
SCHEMBL4664875 0.82 POLB (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL4663057 0.79 CDC25B (0.36) ALDH1A1ACHEMAPTSMN1; SMN2HPGD
SCHEMBL4664737 0.78 CYP1A2 (0.42) ALDH1A1KMT2AHPGDCYP2D6CYP2C19
SCHEMBL4663078 0.78 PTPN1 (0.41) ALDH1A1MAPTKMT2ACYP3A4GAA
SCHEMBL4664724 0.77 NPSR1 (0.46)
SCHEMBL4664798 0.77 KDM4E (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL4662967 0.77 CYP1A2 (0.40) ALDH1A1KMT2ASMN1; SMN2CYP2D6CYP2C19

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 ALDH1A1 2826/4885ACHE 8/4885MAPT 74/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885ACHE 8/4885MAPT 74/4885

“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.