SCHEMBL4664798

SCHEMBL4664798

COc1ccccc1OCC(=O)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP2D6 P10635 2/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 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
SCHEMBL4663352 0.87 CNR1 (0.45) KDM4ETDP1ALDH1A1USP2MAPT
SCHEMBL4666573 0.87 SMN1; SMN2 (0.50) KDM4ETDP1CYP2D6TSHRUSP2
SCHEMBL4664899 0.85 ALDH1A1 (0.53) KDM4ETSHRKEAP1NFE2L2ALDH1A1
SCHEMBL4664813 0.81 HSD17B10 (0.55) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4662964 0.80 SMN1; SMN2 (0.44) TDP1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4664956 0.80 ALDH1A1 (0.47) KDM4ECYP2D6ALDH1A1HPGDCYP2C9
SCHEMBL4664948 0.80 MAPK1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL4666777 0.79 MAPK1 (0.46) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL4666623 0.79 FKBP1A (0.49) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4663356 0.79 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A

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 KDM4E 3412/4885TDP1 584/4885CYP2D6 2202/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 KDM4E 3412/4885TDP1 584/4885CYP2D6 2202/4885

“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.