SCHEMBL4664875

SCHEMBL4664875

O=C(CCCc1ccccc1)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
SIGMAR1 Q99720 1/20 0.52
ABCB1 P08183 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FKBP1A P62942 1/20 0.41
NAMPT P43490 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
SCHEMBL4663356 0.89 ALDH1A1 (0.46) POLBSIGMAR1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL4666623 0.84 FKBP1A (0.49) SIGMAR1ABCB1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4664728 0.84 TSHR (0.43) ABCB1ALDH1A1L3MBTL1GAAKMT2A
SCHEMBL4664758 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL4664852 0.82 TDP1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL4666710 0.82 POLB (0.46) POLBSIGMAR1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL4663078 0.81 PTPN1 (0.41) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL4663079 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL4666716 0.80 ALDH1A1 (0.40) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL4662990 0.80 TACR2 (0.53) ALDH1A1SMN1; SMN2GAAKMT2AMAPT

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 POLB 1560/4885SIGMAR1 3367/4885ABCB1 921/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 POLB 1560/4885SIGMAR1 3367/4885ABCB1 921/4885

“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.