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SCHEMBL4664779

SCHEMBL4664779

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ ANPEP P15144 2/20 0.35
▸ ERAP2 Q6P179 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ FCER2 P06734 1/20 0.35
▸ REN P00797 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 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
SCHEMBL4664946 0.90 NPC1 (0.41) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4663254 0.89 NPC1 (0.38) LTA4HNPC1RAB9AEPHX2ATM
SCHEMBL4662998 0.88 CHRM1 (0.40) NPC1RAB9AEPHX2
SCHEMBL4663026 0.81 RAB9A (0.38) RAB9AATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL4666831 0.81 GNA11 (0.44) MME
SCHEMBL4665056 0.80 MAOB (0.41) LTA4HRAB9ASMN1; SMN2
SCHEMBL4664733 0.78 BCHE (0.41) NPC1RAB9AEPHX2BCHEHPGD
SCHEMBL4664673 0.78 ACACB (0.36) RAB9AEPHX2BCHEHPGDALDH1A1
SCHEMBL4664855 0.78 ACACB (0.36) RAB9AEPHX2BCHEHPGDALDH1A1
SCHEMBL4664853 0.78 ACACB (0.36) RAB9AEPHX2BCHEHPGDALDH1A1

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 LTA4H 1086/4885NPC1 1709/4885RAB9A 788/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 LTA4H 1086/4885NPC1 1709/4885RAB9A 788/4885

“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.