SCHEMBL4664904

SCHEMBL4664904

O=C(CCCC1CCCCC1)C1=C(O)C(CCCc2ccccc2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC18A3 Q16572 1/20 0.41
EPHX2 P34913 2/20 0.41
PTPN1 P18031 4/20 0.40
ACP1 P24666 3/20 0.40
CDC25B P30305 3/20 0.40
HPSE Q9Y251 2/20 0.40
EPHX1 P07099 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN2 P17706 1/20 0.40
DUSP3 P51452 1/20 0.40
FAAH O00519 3/20 0.40
MIF P14174 1/20 0.39
NAAA Q02083 1/20 0.38
CCR5 P51681 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
SCHEMBL4662984 0.94 MEN1 (0.41) MEN1RAB9AKMT2ASLC18A3EPHX2
SCHEMBL4663048 0.89 PTPN1 (0.42) MEN1RAB9AKMT2APTPN1ACP1
SCHEMBL4662981 0.85 HPSE (0.43) KMT2AEPHX2HPSEDUSP3FAAH
SCHEMBL4664852 0.82 TDP1 (0.49) RAB9APTPN1ACP1CDC25BHPSE
SCHEMBL4663008 0.82 EPHX2 (0.47) MEN1RAB9AKMT2AEPHX2PTPN1
SCHEMBL4664732 0.82 EPHX2 (0.41) KMT2AEPHX2EPHX1RECQL
SCHEMBL4666665 0.81 PTPN1 (0.47) RAB9APTPN1ACP1CDC25BHPSE
SCHEMBL4665026 0.78 PTPN1 (0.49) PTPN1ACP1CDC25BHPSEMAPT
SCHEMBL4664810 0.77 PTPN1 (0.46) MEN1RAB9AKMT2APTPN1ACP1
SCHEMBL4664944 0.77 PTPN1 (0.44) RAB9APTPN1ACP1CDC25BHPSE

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 MEN1 1292/4885RAB9A 788/4885KMT2A 3781/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MEN1 1292/4885RAB9A 788/4885KMT2A 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.