SCHEMBL4662958

SCHEMBL4662958

COc1ccccc1OCC(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXRA P19793 1/20 0.38
CYP3A4 P08684 2/20 0.38
HTT P42858 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4662964 0.94 SMN1; SMN2 (0.44) SMN1; SMN2POLBLMNAHSD17B10MRGPRX4
SCHEMBL4664730 0.89 POLB (0.48) SMN1; SMN2POLBLMNAHSD17B10MRGPRX4
SCHEMBL4664907 0.85 ALDH1A1 (0.48) SMN1; SMN2LMNAHSD17B10MRGPRX4ALDH1A1
SCHEMBL4666580 0.82 SMN1; SMN2 (0.45) SMN1; SMN2POLBLMNAHSD17B10ALDH1A1
SCHEMBL4663302 0.80 PLAAT3 (0.52) SMN1; SMN2POLBLMNAALDH1A1TDP1
SCHEMBL4662996 0.80 NPC1 (0.53) ALDH1A1MEN1KMT2AALOX5ATM
SCHEMBL4662986 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBLMNAHSD17B10ALDH1A1
SCHEMBL4665011 0.79 SMN1; SMN2 (0.45) SMN1; SMN2POLBLMNAHSD17B10MRGPRX4
SCHEMBL4664983 0.78 HPGD (0.52) SMN1; SMN2POLBLMNAHSD17B10ALDH1A1
SCHEMBL4664811 0.78 ALDH1A1 (0.40) ALDH1A1TDP1CDC25ACDC25BDUSP3

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 SMN1; SMN2 1277/4885POLB 1560/4885LMNA 1625/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885LMNA 1625/4885

“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.