SCHEMBL4662923

SCHEMBL4662923

O=C1OC(CCc2ccccc2)C(O)=C1C(=O)[C@@H]1CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HDAC4 P56524 1/20 0.39
HPGD P15428 1/20 0.38
DEGS1 O15121 2/20 0.37
SLC9A1 P19634 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
FFAR1 O14842 1/20 0.34
FASN P49327 1/20 0.34
NAMPT P43490 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 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
SCHEMBL4662921 1.00 ALDH1A1 (0.42) ALDH1A1HDAC4HPGDDEGS1SLC9A1
SCHEMBL4663001 0.81 ALDH1A1 (0.41) ALDH1A1FASNSMN1; SMN2
SCHEMBL4663385 0.81 SIGMAR1 (0.40) ALDH1A1HDAC4HPGDDEGS1SLC9A1
SCHEMBL4663382 0.81 SIGMAR1 (0.40) ALDH1A1HDAC4HPGDDEGS1SLC9A1
SCHEMBL4664772 0.78 SIGMAR1 (0.38) ALDH1A1HDAC4HPGDDEGS1SLC9A1
SCHEMBL4664767 0.78 SIGMAR1 (0.38) ALDH1A1HDAC4HPGDDEGS1SLC9A1
SCHEMBL4665057 0.78 ALDH1A1 (0.42) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL4664944 0.76 PTPN1 (0.44) ALDH1A1FFAR1GAA
SCHEMBL4664811 0.76 ALDH1A1 (0.40) ALDH1A1FASN
SCHEMBL4666618 0.74 ELANE (0.43) ALDH1A1

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 ALDH1A1 2826/4885HDAC4 629/4885HPGD 4570/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885HDAC4 629/4885HPGD 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.