SCHEMBL4664732

SCHEMBL4664732

O=C1OC(CCCc2ccccc2)C(O)=C1C(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 1/20 0.41
MFN2 O95140 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FKBP1A P62942 2/20 0.38

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
SCHEMBL4665057 0.93 ALDH1A1 (0.42) EPHX2EPHX1ALDH1A1CYP2C19LMNA
SCHEMBL4663001 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL4662915 0.85 CACNA1G (0.39) EPHX2ALDH1A1CYP2C19LMNAALOX12
SCHEMBL4664904 0.82 MEN1 (0.43) EPHX2EPHX1RECQLKMT2A
SCHEMBL4663008 0.76 EPHX2 (0.47) EPHX2EPHX1LMNASMN1; SMN2KMT2A
SCHEMBL4664830 0.76 ELANE (0.40) EPHX2EPHX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4662984 0.76 MEN1 (0.41) EPHX2EPHX1LMNARECQLSMN1; SMN2
SCHEMBL4664824 0.76 ELANE (0.40) EPHX2EPHX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4664827 0.76 ELANE (0.40) EPHX2EPHX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4663057 0.75 CDC25B (0.36) EPHX2ALDH1A1LMNARECQLSMN1; SMN2

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 EPHX2 1954/4885EPHX1 2108/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 EPHX2 1954/4885EPHX1 2108/4885ALDH1A1 2826/4885

“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.