SCHEMBL4662998

SCHEMBL4662998

O=C1OC(CC2CCCCC2)C(O)=C1C(=O)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.40
EPHX1 P07099 1/20 0.39
PTPN1 P18031 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2 P00734 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL4663026 0.93 RAB9A (0.38) CHRM1EPHX1PTPN1RAB9A
SCHEMBL4664779 0.88 LTA4H (0.40) NPC1RAB9AEPHX2
SCHEMBL4663254 0.86 NPC1 (0.38) NPC1RAB9AEPHX2
SCHEMBL4664733 0.80 BCHE (0.41) NPC1RAB9AEPHX2
SCHEMBL4664946 0.78 NPC1 (0.41) EPHX1NPC1RAB9A
SCHEMBL4666831 0.78 GNA11 (0.44)
SCHEMBL4665056 0.78 MAOB (0.41) PTPN1RAB9A
SCHEMBL4664673 0.75 ACACB (0.36) EPHX1RAB9AEPHX2
SCHEMBL4664855 0.75 ACACB (0.36) EPHX1RAB9AEPHX2
SCHEMBL4664920 0.72 PPARG (0.47)

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 CHRM1 36/4885EPHX1 2108/4885PTPN1 2489/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CHRM1 36/4885EPHX1 2108/4885PTPN1 2489/4885

“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.