SCHEMBL4662974

SCHEMBL4662974

CC(C)CC1OC(=O)C(C(=O)Cc2ccc3ccccc3c2)=C1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
CASP1 P29466 2/20 0.43
CASP3 P42574 2/20 0.43
CASP6 P55212 2/20 0.43
CASP8 Q14790 1/20 0.43
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
ELANE P08246 1/20 0.39
NLRP3 Q96P20 1/20 0.38
CASP7 P55210 1/20 0.38
AIMP2 Q13155 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VNN1 O95497 1/20 0.37
PTPN1 P18031 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4665036 0.92 ALOX5 (0.43) ALOX5CASP1CASP3CASP6CASP8
SCHEMBL4663032 0.86 PTPN1 (0.40) CASP1PTPN1MEN1KMT2AMAPT
SCHEMBL4666706 0.83 ALOX5 (0.43) ALOX5NLRP3AIMP2MEN1KMT2A
SCHEMBL4662924 0.81 LMNA (0.39) L3MBTL1MEN1KMT2AMAPTCDC25B
SCHEMBL4663237 0.79 CDC25B (0.39) L3MBTL1PTPN1MAPTACP1CDC25B
SCHEMBL4666574 0.78 PTPN1 (0.38) L3MBTL1PTPN1MEN1KMT2AMAPT
SCHEMBL4664737 0.76 CYP1A2 (0.42) L3MBTL1KMT2A
SCHEMBL4663317 0.76 PTPN1 (0.44) ALOX5PTPN1MEN1KMT2AMAPT
SCHEMBL4664973 0.76 PTPN1 (0.47) CASP3PTPN1MAPTACP1CDC25B
SCHEMBL4664722 0.75 ALDH1A1 (0.46) L3MBTL1PTPN1MEN1KMT2AMAPT

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 ALOX5 1340/4885CASP1 130/4885CASP3 282/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALOX5 1340/4885CASP1 130/4885CASP3 282/4885

“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.