SCHEMBL4666706

SCHEMBL4666706

O=C(Cc1ccc2ccccc2c1)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
PTGER4 P35408 1/20 0.37
AKR1B1 P15121 1/20 0.37
FFAR1 O14842 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SOX18 P35713 1/20 0.37
AIMP2 Q13155 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL4664811 0.88 ALDH1A1 (0.40) AKR1B1
SCHEMBL4662974 0.83 ALOX5 (0.45) ALOX5NR1H4NLRP3AIMP2MEN1
SCHEMBL4665096 0.82 L3MBTL1 (0.40) ALOX5CYP1A2SIGMAR1MEN1KMT2A
SCHEMBL4665036 0.81 ALOX5 (0.43) ALOX5NR1H4NLRP3AIMP2MEN1
SCHEMBL4664944 0.80 PTPN1 (0.44) FFAR1
SCHEMBL4664737 0.78 CYP1A2 (0.42) CYP1A2SIGMAR1KMT2A
SCHEMBL4666877 0.78 ALOX5 (0.43) ALOX5CYP1A2SIGMAR1NR1H4AKR1B1
SCHEMBL4664852 0.78 TDP1 (0.49)
SCHEMBL4664745 0.78 CDC25B (0.41) MEN1KMT2A
SCHEMBL4664828 0.78 CYP1A1 (0.41) MEN1KMT2A

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 1340/4885CYP1A2 2117/4885SIGMAR1 3367/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALOX5 1340/4885CYP1A2 2117/4885SIGMAR1 3367/4885

“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.