SCHEMBL4664907

SCHEMBL4664907

O=C(COc1cccc2ccccc12)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
OGG1 O15527 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
ROCK2 O75116 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
ROCK1 Q13464 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 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
SCHEMBL4662958 0.85 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDTDP1MRGPRX4
SCHEMBL4664925 0.82 HPGD (0.46) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL4664866 0.79 HPGD (0.43) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL4662964 0.79 SMN1; SMN2 (0.44) ALDH1A1HPGDTDP1MRGPRX4KMT2A
SCHEMBL4663352 0.79 CNR1 (0.45) ALDH1A1KDM4ETDP1KMT2ALMNA
SCHEMBL4664811 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1MAPT
SCHEMBL4664944 0.76 PTPN1 (0.44) ALDH1A1KDM4ETDP1MAPT
SCHEMBL4664852 0.74 TDP1 (0.49) ALDH1A1TDP1LMNASMN1; SMN2MAPK1
SCHEMBL4664828 0.74 CYP1A1 (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4664730 0.73 POLB (0.48) ALDH1A1KDM4EHPGDMRGPRX4KMT2A

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 ALDH1A1 2826/4885KDM4E 3412/4885HPGD 4570/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885KDM4E 3412/4885HPGD 4570/4885

“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.