SCHEMBL4663079

SCHEMBL4663079

O=C(CCCC1CCCCC1)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PTPN1 P18031 4/20 0.39
ACP1 P24666 3/20 0.39
CDC25B P30305 3/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN2 P17706 1/20 0.39
DUSP3 P51452 1/20 0.39
HPSE Q9Y251 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAAA Q02083 2/20 0.38
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4664924 0.89 ALDH1A1 (0.43) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL4663239 0.83 CNR2 (0.44) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL4663078 0.82 PTPN1 (0.41) ALDH1A1PTPN1ACP1CDC25BMAPT
SCHEMBL4664875 0.80 POLB (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4666665 0.80 PTPN1 (0.47) ALDH1A1PTPN1ACP1CDC25BMAPT
SCHEMBL4662967 0.79 CYP1A2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2CHRM2
SCHEMBL4666707 0.79 PKM (0.39) ALDH1A1MAPTPKMKMT2AEPHX1
SCHEMBL4663356 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL4664904 0.77 MEN1 (0.43) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL4665026 0.76 PTPN1 (0.49) PTPN1ACP1CDC25BMAPTRECQL

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 2826/4885PTPN1 2489/4885ACP1 2849/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885PTPN1 2489/4885ACP1 2849/4885

“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.