SCHEMBL4665056

SCHEMBL4665056

CC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
LTA4H P09960 2/20 0.38
PPARD Q03181 1/20 0.38
YAP1 P46937 1/20 0.38
FFAR1 O14842 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTPN1 P18031 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GRM2 Q14416 1/20 0.38
RAB9A P51151 1/20 0.38
LAP3 P28838 1/20 0.37
CCR5 P51681 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL4663254 0.91 NPC1 (0.38) SMN1; SMN2LTA4HRAB9A
SCHEMBL4665054 0.84 PSMB1 (0.50) YAP1PTPN1
SCHEMBL4664673 0.82 ACACB (0.36) RAB9A
SCHEMBL4664779 0.80 LTA4H (0.40) SMN1; SMN2LTA4HRAB9A
SCHEMBL4664920 0.78 PPARG (0.47) KMT2APPARG
SCHEMBL4662998 0.78 CHRM1 (0.40) PTPN1RAB9A
SCHEMBL4666831 0.76 GNA11 (0.44)
SCHEMBL4663026 0.74 RAB9A (0.38) SMN1; SMN2PTPN1RAB9ACCR5
SCHEMBL4664946 0.74 NPC1 (0.41) SMN1; SMN2LTA4HRAB9A
SCHEMBL4664747 0.73 CA1 (0.37)

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 MAOB 832/4885KDM4E 3412/4885KMT2A 3781/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MAOB 832/4885KDM4E 3412/4885KMT2A 3781/4885

“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.