SCHEMBL4664813

SCHEMBL4664813

Cc1cccc(OCC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4664899 0.91 ALDH1A1 (0.53) HSD17B10KDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL4666573 0.84 SMN1; SMN2 (0.50) KDM4EKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4664728 0.83 TSHR (0.43) HSD17B10KDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL4664798 0.81 KDM4E (0.54) KDM4EKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4663352 0.80 CNR1 (0.45) HSD17B10KDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL4666710 0.79 POLB (0.46) ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL4664954 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAOBTSHRSMN1; SMN2
SCHEMBL4663362 0.77 NR5A2 (0.48) HSD17B10KDM4EALDH1A1MAOBMAPT
SCHEMBL4665102 0.77 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4666623 0.76 FKBP1A (0.49) KDM4EALDH1A1HTTSMN1; SMN2MAPT

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 6 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
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 HSD17B10 1577/4885KDM4E 3412/4885L3MBTL1 3123/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HSD17B10 1577/4885KDM4E 3412/4885L3MBTL1 3123/4885

“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.