SCHEMBL4664733

SCHEMBL4664733

O=C(CC(c1ccccc1)c1ccccc1)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.41
CCR1 P32246 1/20 0.37
HPGD P15428 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
CACNA2D1 P54289 3/20 0.35
CACNA1B Q00975 3/20 0.35
CACNB1 Q02641 3/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL4662998 0.80 CHRM1 (0.40) RAB9ANPC1EPHX2
SCHEMBL4664996 0.79 LMNA (0.40) HPGDLMNARECQLTP53MEN1
SCHEMBL4664819 0.79 CDC25B (0.37) BCHEHPGDCYP3A4CYP2C9LMNA
SCHEMBL4664779 0.78 LTA4H (0.40) BCHEHPGDRAB9ANPC1ALDH1A1
SCHEMBL4664770 0.78 PTPN1 (0.39) CYP3A4CYP2C9LMNARECQLMEN1
SCHEMBL4664684 0.77 PTPN1 (0.43) HPGDLMNARECQLTP53MEN1
SCHEMBL4663002 0.77 LMNA (0.44) HPGDCYP3A4CYP2C19CYP2C9LMNA
SCHEMBL4665122 0.77 ALDH1A1 (0.37) HPGDCYP3A4CYP2C9LMNARECQL
SCHEMBL4664710 0.76 CNR2 (0.41) LMNATP53MEN1CRHBPHTT
SCHEMBL4663254 0.76 NPC1 (0.38) BCHEHPGDCYP3A4RAB9ANPC1

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 BCHE 68/4885CCR1 3714/4885HPGD 4570/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 BCHE 68/4885CCR1 3714/4885HPGD 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.