SCHEMBL4664815

SCHEMBL4664815

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.48
CDC25A P30304 1/20 0.48
DUSP3 P51452 1/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AOC3 Q16853 1/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DAO P14920 1/20 0.40
GLA P06280 1/20 0.40
PTPN1 P18031 1/20 0.40
ACP1 P24666 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL4664856 0.90 CDC25B (0.46) CDC25BCDC25ADUSP3HDAC1HDAC6
SCHEMBL4663353 0.88 DUSP3 (0.45) CDC25BDUSP3HDAC1HDAC6CASP3
SCHEMBL4664722 0.87 ALDH1A1 (0.46) CDC25BCDC25ADUSP3PTPN1ACP1
SCHEMBL4662972 0.86 PTPN1 (0.43) CDC25BCDC25ADUSP3PTPN1ACP1
SCHEMBL4664694 0.86 CDC25B (0.48) CDC25BCDC25ADUSP3HDAC1HDAC6
SCHEMBL4665061 0.83 TSHR (0.43) AOC3MTNR1AMTNR1BTAAR1
SCHEMBL4663237 0.82 CDC25B (0.39) CDC25BCDC25ADUSP3PTPN1ACP1
SCHEMBL4664800 0.81 ALDH1A1 (0.44) CDC25BDUSP3PTPN1ACP1
SCHEMBL4664973 0.79 PTPN1 (0.47) CDC25BCDC25ADUSP3HDAC1HDAC6
SCHEMBL4662957 0.78 DUSP3 (0.43) CDC25BCDC25ADUSP3CASP3CASP7

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
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.