SCHEMBL4665077

SCHEMBL4665077

COc1ccc(OC)c(CCC(=O)C2=C(O)C(CCc3ccccc3)OC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 3/20 0.43
CAPN1 P07384 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MTNR1B P49286 3/20 0.42
MTNR1A P48039 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4664721 0.92 HSD17B10 (0.47) TSHRHTTPOLBCAPN1HSD17B10
SCHEMBL4666664 0.88 ALDH1A1 (0.44) TSHRHTTPOLBNPC1RAB9A
SCHEMBL4662996 0.86 NPC1 (0.53) NPC1RAB9AMEN1KMT2A
SCHEMBL4664694 0.85 CDC25B (0.48) NPC1RAB9A
SCHEMBL4665061 0.85 TSHR (0.43) TSHRHTTCAPN1NPC1RAB9A
SCHEMBL4663302 0.82 PLAAT3 (0.52) POLBNPC1RAB9AKMT2ASIGMAR1
SCHEMBL4664876 0.82 TSHR (0.41) TSHRHTTCAPN1NPC1RAB9A
SCHEMBL4664944 0.81 PTPN1 (0.44) NPC1RAB9A
SCHEMBL4665096 0.80 L3MBTL1 (0.40) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL4666777 0.80 MAPK1 (0.46) HTTPOLBMEN1KMT2A

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 81/4885POLB 1560/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TSHR 412/4885HTT 81/4885POLB 1560/4885

“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.