SCHEMBL4666733

SCHEMBL4666733

O=C(CCc1c[nH]c2ccccc12)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.47
MC5R P33032 4/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MC3R P41968 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PDPK1 O15530 1/20 0.44
KDM1A O60341 1/20 0.44
SLC6A2 P23975 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
BCHE P06276 2/20 0.43

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
SCHEMBL6029305 0.91 SLC6A2 (0.50) CDK4MC5RMAPTKMT2AMEN1
SCHEMBL4664712 0.81 CDK4 (0.47) CDK4MC5RGFERMAPTKMT2A
SCHEMBL4664915 0.80 NPC1 (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4664683 0.77 NR0B1 (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4666721 0.75 GPR84 (0.41) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL4666692 0.72 MEN1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4664717 0.72 SLC6A2 (0.50) CDK4MC5RMAPTKMT2AMEN1
SCHEMBL657608 0.71 PDPK1 (0.68) CDK4MAPTKMT2AMEN1ALDH1A1
SCHEMBL4664917 0.71 NR0B1 (0.46) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL4244260 0.70 KMT2A (0.54) MAPTKMT2AMEN1ALDH1A1LMNA

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 CDK4 3128/4885MC5R 1735/4885GFER 3625/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CDK4 3128/4885MC5R 1735/4885GFER 3625/4885

“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.