SCHEMBL4663352

SCHEMBL4663352

O=C(COc1cccc2ccccc12)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALB P02768 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4664798 0.87 KDM4E (0.54) TDP1USP2KDM4ELMNAALDH1A1
SCHEMBL4666573 0.85 SMN1; SMN2 (0.50) TDP1USP2KDM4EMEN1KMT2A
SCHEMBL4664813 0.80 HSD17B10 (0.55) L3MBTL1KDM4ENPSR1ALDH1A1MAPT
SCHEMBL4664899 0.80 ALDH1A1 (0.53) CYP2C19L3MBTL1HRH3KDM4ENPSR1
SCHEMBL4664907 0.79 ALDH1A1 (0.48) CNR1CNR2TDP1KDM4ELMNA
SCHEMBL4663356 0.78 ALDH1A1 (0.46) L3MBTL1LMNANPSR1ALDH1A1MAPT
SCHEMBL4664737 0.77 CYP1A2 (0.42) CYP1A2CYP2C19L3MBTL1KDM4EALDH1A1
SCHEMBL4664758 0.76 ALDH1A1 (0.42) CYP2C19USP2KDM4EALDH1A1MAPT
SCHEMBL4664925 0.76 HPGD (0.46) TDP1KDM4ELMNANPSR1ALDH1A1
SCHEMBL4664875 0.75 POLB (0.52) L3MBTL1ALDH1A1MAPTHTTMEN1

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 CNR1 2161/4885CNR2 3325/4885CYP1A2 2117/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CNR1 2161/4885CNR2 3325/4885CYP1A2 2117/4885

“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.