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SCHEMBL4664828

SCHEMBL4664828

CC(=O)c1ccc2ccccc2c1CC(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ PSEN1 P49768 1/20 0.33

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 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTCDC25BPTPN1
SCHEMBL4666706 0.78 ALOX5 (0.43) KMT2AMEN1
SCHEMBL4664907 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4664745 0.74 CDC25B (0.41) ALDH1A1KMT2AMEN1MAPTCDC25B
SCHEMBL4664944 0.74 PTPN1 (0.44) CYP1A1CYP1B1ALDH1A1KDM4EGAA
SCHEMBL4664717 0.72 SLC6A2 (0.50) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4664852 0.72 TDP1 (0.49) ALDH1A1NPC1MAPTRAB9ACDC25B
SCHEMBL4665096 0.72 L3MBTL1 (0.40) ALDH1A1GAAKMT2AMEN1NPC1
SCHEMBL4663304 0.72 PTPN1 (0.42) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL4664818 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10MAPT

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 CYP1A1 1347/4885CYP1B1 1283/4885SIRT2 1854/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP1A1 1347/4885CYP1B1 1283/4885SIRT2 1854/4885

“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.