SCHEMBL4664653

SCHEMBL4664653

COc1ccc(OC)c(CC(=O)C2=C(O)C(CC(C)C)OC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
AOC3 Q16853 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PSMB5 P28074 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL4664886 0.92 HSD17B10 (0.45) HSD17B10KMT2AMEN1HTTTSHR
SCHEMBL4665061 0.91 TSHR (0.43) HSD17B10KMT2AMEN1HTTTSHR
SCHEMBL4664721 0.84 HSD17B10 (0.47) HSD17B10KMT2AMEN1HTTTSHR
SCHEMBL4663294 0.83 KMT2A (0.40) HSD17B10KMT2AMEN1HTTTSHR
SCHEMBL4664876 0.82 TSHR (0.41) HSD17B10KMT2AMEN1HTTTSHR
SCHEMBL4662924 0.81 LMNA (0.39) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL4664956 0.79 ALDH1A1 (0.47) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL4664815 0.78 CDC25B (0.48) AOC3MTNR1AMTNR1B
SCHEMBL4664751 0.76 CDC25B (0.43) KMT2AMEN1
SCHEMBL4665077 0.76 TSHR (0.43) HSD17B10KMT2AMEN1HTTTSHR

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 HSD17B10 1577/4885KMT2A 3781/4885MEN1 1292/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HSD17B10 1577/4885KMT2A 3781/4885MEN1 1292/4885

“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.