SCHEMBL4664694

SCHEMBL4664694

COc1cccc(CCC(=O)C2=C(O)C(CCc3ccccc3)OC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.48
CDC25A P30304 1/20 0.48
DUSP3 P51452 1/20 0.48
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
TOP2A P11388 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPN1 P18031 2/20 0.42
ACP1 P24666 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATM Q13315 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
SCHEMBL4662996 0.90 NPC1 (0.53) CDC25BCDC25ADUSP3RAB9ANPC1
SCHEMBL4664944 0.87 PTPN1 (0.44) CDC25BCDC25ADUSP3RAB9AGAA
SCHEMBL4663210 0.87 DUSP3 (0.45) CDC25BDUSP3CASP3CASP7ALDH1A1
SCHEMBL4665096 0.86 L3MBTL1 (0.40) CDC25BCDC25ADUSP3RAB9AGAA
SCHEMBL4664815 0.86 CDC25B (0.48) CDC25BCDC25ADUSP3CASP3CASP7
SCHEMBL4665077 0.85 TSHR (0.43) RAB9ANPC1
SCHEMBL4664856 0.83 CDC25B (0.46) CDC25BCDC25ADUSP3CASP3CASP7
SCHEMBL4666664 0.81 ALDH1A1 (0.44) RAB9AGAANPC1ALDH1A1
SCHEMBL4664721 0.81 HSD17B10 (0.47) ALDH1A1
SCHEMBL4666710 0.81 POLB (0.46) CDC25BCDC25ADUSP3ALDH1A1

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 CDC25B 3121/4885CDC25A 2484/4885DUSP3 3878/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CDC25B 3121/4885CDC25A 2484/4885DUSP3 3878/4885

“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.