SCHEMBL4662956

SCHEMBL4662956

O=C(CCc1c[nH]c2ccccc12)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 5/20 0.46
HTR1A P08908 1/20 0.45
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4665106 0.90 MTNR1A (0.44) MTNR1AKMT2AHPGDHTTALDH1A1
SCHEMBL4664682 0.81 MAPT (0.51) MTNR1AKMT2AHPGDHTTRECQL
SCHEMBL4664712 0.81 CDK4 (0.47) KMT2AHPGDHTTRECQLALDH1A1
SCHEMBL4663295 0.78 MAPT (0.46) MTNR1AKMT2AHPGDHTTRECQL
SCHEMBL4662990 0.76 TACR2 (0.53) KMT2AHPGDALDH1A1MEN1SMN1; SMN2
SCHEMBL4664710 0.73 CNR2 (0.41) KMT2AHTTALDH1A1MEN1MAPK1
SCHEMBL4666665 0.73 PTPN1 (0.47) HPGDHTTRECQLALDH1A1MAPK1
SCHEMBL9464532 0.72 MAPT (0.51) KMT2AHPGDHTTRECQLALDH1A1
SCHEMBL4664996 0.72 LMNA (0.40) KMT2AHPGDHTTRECQLMEN1
SCHEMBL4664878 0.72 MTNR1A (0.42) MTNR1AKMT2AHTTALDH1A1MEN1

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 MTNR1A 766/4885KMT2A 3781/4885HPGD 4570/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MTNR1A 766/4885KMT2A 3781/4885HPGD 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.