SCHEMBL4663362

SCHEMBL4663362

CC(=O)C1=C(O)C(CCCN2CCOCC2)OC1=O.c1cc2cc-2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.40
MDM2 Q00987 1/20 0.40
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 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
SCHEMBL4663080 0.78 CNR2 (0.48) MDM2
SCHEMBL4662967 0.78 CYP1A2 (0.40) ALDH1A1MDM2
SCHEMBL4663356 0.77 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL4664728 0.77 TSHR (0.43) KDM4EALDH1A1HSD17B10
SCHEMBL4665007 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10USP2MDM2
SCHEMBL4664813 0.77 HSD17B10 (0.55) KDM4EALDH1A1HSD17B10MAPTMAOB
SCHEMBL4664899 0.77 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10
SCHEMBL4663078 0.76 PTPN1 (0.41) KDM4EALDH1A1HSD17B10TDP1MDM2
SCHEMBL4666710 0.76 POLB (0.46) ALDH1A1
SCHEMBL4664758 0.76 ALDH1A1 (0.42) KDM4EALDH1A1USP2MAPT

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 NR5A2 787/4885KDM4E 3412/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NR5A2 787/4885KDM4E 3412/4885ALDH1A1 2826/4885

“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.