SCHEMBL4662996

SCHEMBL4662996

COc1ccc(CCC(=O)C2=C(O)C(CCc3ccccc3)OC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 2/20 0.46
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
CDC25B P30305 2/20 0.45
CDC25A P30304 1/20 0.45
DUSP3 P51452 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
F2RL1 P55085 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4664944 0.90 PTPN1 (0.44) NPC1RAB9AMAPTCDC25BCDC25A
SCHEMBL4664694 0.90 CDC25B (0.48) NPC1RAB9ACDC25BCDC25ADUSP3
SCHEMBL4665077 0.86 TSHR (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL4664722 0.85 ALDH1A1 (0.46) NPC1RAB9AMAPTCDC25BCDC25A
SCHEMBL4665096 0.84 L3MBTL1 (0.40) NPC1RAB9AMAPTCDC25BCDC25A
SCHEMBL4663210 0.83 DUSP3 (0.45) MAPTCDC25BDUSP3ALDH1A1MEN1
SCHEMBL4664852 0.83 TDP1 (0.49) NPC1RAB9AMAPTCDC25BCDC25A
SCHEMBL4663304 0.82 PTPN1 (0.42) MAPTCDC25BCDC25ADUSP3ALDH1A1
SCHEMBL4666664 0.82 ALDH1A1 (0.44) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL4664721 0.82 HSD17B10 (0.47) ALDH1A1MEN1KMT2AL3MBTL1

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 NPC1 1709/4885RAB9A 788/4885MAPT 74/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NPC1 1709/4885RAB9A 788/4885MAPT 74/4885

“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.