SCHEMBL4666803

SCHEMBL4666803

CC(=CCC(C)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
APAF1 O14727 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL4666799 1.00 MTNR1A (0.41) MTNR1AMTNR1BAPAF1CYP1A2CYP2D6
SCHEMBL4666793 1.00 MTNR1A (0.41) MTNR1AMTNR1BAPAF1CYP1A2CYP2D6
SCHEMBL7254438 0.82 MTNR1A (0.41) MTNR1AMTNR1BCYP1A2CYP2D6HSD17B10
SCHEMBL16015459 0.82 MTNR1A (0.41) MTNR1AMTNR1BCYP1A2CYP2D6HSD17B10
SCHEMBL14837249 0.81 KDM1A (0.39) MTNR1AMTNR1BCYP1A2CYP2D6HSD17B10
SCHEMBL10622948 0.79 LMNA (0.38) MTNR1AMTNR1BCYP1A2CYP2D6HSD17B10
SCHEMBL9723648 0.78 HTR2A (0.47) HTR2A
SCHEMBL12512023 0.76 SMN1; SMN2 (0.45) MTNR1AMTNR1BCYP1A2CYP2D6HSD17B10
SCHEMBL1859897 0.74 HPGD (0.46) CYP1A2SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL11702554 0.74 KDM1A (0.34) MTNR1AMTNR1BCYP1A2CYP2D6HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 766/4885MTNR1B 873/4885APAF1 188/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MTNR1A 766/4885MTNR1B 873/4885APAF1 188/4885

“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.