SCHEMBL4664728

SCHEMBL4664728

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ABCB1 P08183 2/20 0.41
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DUSP3 P51452 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL4666710 0.89 POLB (0.46) TSHRALDH1A1ABCB1DUSP3HRH3
SCHEMBL4666623 0.84 FKBP1A (0.49) ALDH1A1ABCB1KDM4EMAPK1
SCHEMBL4664875 0.84 POLB (0.52) ALDH1A1ABCB1L3MBTL1GAAKMT2A
SCHEMBL4664813 0.83 HSD17B10 (0.55) TSHRALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL4663356 0.80 ALDH1A1 (0.46) ALDH1A1ABCB1LMNAL3MBTL1GAA
SCHEMBL4663210 0.80 DUSP3 (0.45) ALDH1A1KDM4EDUSP3LMNAKMT2A
SCHEMBL4663078 0.79 PTPN1 (0.41) ALDH1A1KDM4EDUSP3GAAHSD17B10
SCHEMBL4666777 0.79 MAPK1 (0.46) ALDH1A1KDM4ELMNAL3MBTL1GAA
SCHEMBL4663362 0.77 NR5A2 (0.48) ALDH1A1KDM4EHSD17B10
SCHEMBL4665102 0.77 ALDH1A1 (0.41) TSHRALDH1A1KDM4EKMT2ATP53

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 TSHR 412/4885ALDH1A1 2826/4885ABCB1 921/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TSHR 412/4885ALDH1A1 2826/4885ABCB1 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.