Sugi Predict

Sugi Predict / Compounds / SCHEMBL4662915

SCHEMBL4662915

SCHEMBL4662915

O=C1OC(Cc2ccccc2)C(O)=C1C(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX12 P18054 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CDC25A P30304 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
SCHEMBL4665057 0.87 ALDH1A1 (0.42) ALDH1A1CYP2C19ALOX12HPGDEPHX2
SCHEMBL4664732 0.85 EPHX2 (0.41) ALDH1A1CYP2C19ALOX12EPHX2SMN1; SMN2
SCHEMBL4663001 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4663048 0.78 PTPN1 (0.42) ALDH1A1HPGDSMN1; SMN2MEN1HTT
SCHEMBL4664698 0.78 PTPN1 (0.33) CYP2C19HPGDMEN1HTTKMT2A
SCHEMBL4663227 0.77 CDC25B (0.43) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL13743927 0.76 DEGS1 (0.48) ALDH1A1HPGDUSP2
SCHEMBL4664819 0.72 CDC25B (0.37) ALDH1A1HPGDSMN1; SMN2HTTLMNA
SCHEMBL8775269 0.72 KDM4E (0.44) F2PRSS1SMN1; SMN2KDM4ELMNA
SCHEMBL8775275 0.72 KDM4E (0.44) F2PRSS1SMN1; SMN2KDM4ELMNA

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 CACNA1G 7/4885ALDH1A1 2826/4885CYP2C19 1751/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CACNA1G 7/4885ALDH1A1 2826/4885CYP2C19 1751/4885

“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.