SCHEMBL4664876

SCHEMBL4664876

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 3/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CAPN1 P07384 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
BRD4 O60885 1/20 0.39
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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 0.91 HSD17B10 (0.45) TSHRHTTHSD17B10LMNATP53
SCHEMBL4665061 0.91 TSHR (0.43) TSHRHTTHSD17B10RAB9ANPC1
SCHEMBL4663294 0.87 KMT2A (0.40) TSHRHTTHSD17B10RAB9ANPC1
SCHEMBL4664804 0.84 CDC25B (0.44) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4664856 0.84 CDC25B (0.46) MTNR1AMTNR1B
SCHEMBL4664736 0.82 ALDH1A1 (0.42) TSHRHTTRAB9ANPC1LMNA
SCHEMBL4664653 0.82 HSD17B10 (0.49) TSHRHTTHSD17B10MTNR1AMTNR1B
SCHEMBL4665077 0.82 TSHR (0.43) TSHRHTTHSD17B10RAB9ANPC1
SCHEMBL4664880 0.79 LMNA (0.37) TSHRHTTNPC1LMNAMEN1
SCHEMBL4663030 0.79 PTPN1 (0.41) RAB9ANPC1MEN1KMT2A

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 TSHR 412/4885HTT 81/4885HSD17B10 1577/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TSHR 412/4885HTT 81/4885HSD17B10 1577/4885

“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.