SCHEMBL4664946

SCHEMBL4664946

O=C1OC(CC2CCCCC2)C(O)=C1C(=O)C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
DUSP3 P51452 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MDM2 Q00987 1/20 0.34
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LTA4H P09960 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AGER Q15109 1/20 0.32

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
SCHEMBL4664779 0.90 LTA4H (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1LTA4H
SCHEMBL4666831 0.80 GNA11 (0.44)
SCHEMBL4663254 0.79 NPC1 (0.38) NPC1RAB9ACDC25ACDC25BDUSP3
SCHEMBL4662998 0.78 CHRM1 (0.40) NPC1RAB9AEPHX1
SCHEMBL4664855 0.77 ACACB (0.36) RAB9AEPHX1ALDH1A1CNR2
SCHEMBL4664853 0.77 ACACB (0.36) RAB9AEPHX1ALDH1A1CNR2
SCHEMBL4664673 0.77 ACACB (0.36) RAB9AEPHX1ALDH1A1CNR2
SCHEMBL4664966 0.77 MMP2 (0.40) NPC1RAB9AALDH1A1LMNA
SCHEMBL4663026 0.76 RAB9A (0.38) RAB9ACDC25ACDC25BDUSP3POLB
SCHEMBL4665056 0.74 MAOB (0.41) RAB9ASMN1; SMN2LTA4H

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 NPC1 1709/4885RAB9A 788/4885BCL2L1 749/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NPC1 1709/4885RAB9A 788/4885BCL2L1 749/4885

“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.