SCHEMBL4663295

SCHEMBL4663295

CSC(C)CC1OC(=O)C(C(=O)CCc2c[nH]c3ccccc23)=C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
APAF1 O14727 1/20 0.41
MTNR1A P48039 1/20 0.41
CDK4 P11802 1/20 0.41
GLA P06280 1/20 0.41
IDO1 P14902 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
SCHEMBL4664682 0.91 MAPT (0.51) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6029790 0.90 MAPT (0.42) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4663364 0.81 MAPT (0.45) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4664712 0.81 CDK4 (0.47) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL4663030 0.80 PTPN1 (0.41) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL4662956 0.78 MTNR1A (0.47) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL4666595 0.76 PTPN1 (0.44) MAPTTDP1RECQLHPGD
SCHEMBL4664804 0.75 CDC25B (0.44) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4664893 0.75 PTPN1 (0.46) MAPTTDP1RECQL
SCHEMBL4662990 0.74 TACR2 (0.53) MAPTKDM4EALDH1A1MEN1KMT2A

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 MAPT 74/4885KDM4E 3412/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MAPT 74/4885KDM4E 3412/4885ALDH1A1 2826/4885

“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.