SCHEMBL4664767

SCHEMBL4664767

CSC(C)CC1OC(=O)C(C(=O)[C@@H]2C[C@H]2c2ccccc2)=C1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HDAC4 P56524 1/20 0.36
GPR88 Q9GZN0 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
DEGS1 O15121 1/20 0.35
SLC9A1 P19634 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4664772 1.00 SIGMAR1 (0.38) SIGMAR1HRH3HDAC4GPR88ALDH1A1
SCHEMBL4663385 0.90 SIGMAR1 (0.40) SIGMAR1HRH3HDAC4GPR88ALDH1A1
SCHEMBL4663382 0.90 SIGMAR1 (0.40) SIGMAR1HRH3HDAC4GPR88ALDH1A1
SCHEMBL4662923 0.78 ALDH1A1 (0.42) SIGMAR1HDAC4ALDH1A1HPGDDEGS1
SCHEMBL4662921 0.78 ALDH1A1 (0.42) SIGMAR1HDAC4ALDH1A1HPGDDEGS1
SCHEMBL4666574 0.76 PTPN1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL4664926 0.75 L3MBTL1 (0.36) MEN1KMT2A
SCHEMBL4664941 0.74 PTPN1 (0.36) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4665087 0.74 PTPN1 (0.33)
SCHEMBL4663030 0.74 PTPN1 (0.41) ALDH1A1MEN1KMT2A

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 SIGMAR1 3367/4885HRH3 976/4885HDAC4 629/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SIGMAR1 3367/4885HRH3 976/4885HDAC4 629/4885

“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.