SCHEMBL4665057

SCHEMBL4665057

O=C1OC(CCc2ccccc2)C(O)=C1C(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
EPHX2 P34913 3/20 0.38
NPC1 O15118 2/20 0.38
EPHX1 P07099 2/20 0.38
RAB9A P51151 2/20 0.38
HTR2A P28223 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 2/20 0.37
HPGD P15428 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
SCHEMBL4663001 0.94 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTR2ATSHRKMT2A
SCHEMBL4664732 0.93 EPHX2 (0.41) ALDH1A1CYP2C19SMN1; SMN2LMNAALOX12
SCHEMBL4662915 0.87 CACNA1G (0.39) ALDH1A1CYP2C19SMN1; SMN2LMNAALOX12
SCHEMBL4663008 0.83 EPHX2 (0.47) SMN1; SMN2LMNATAAR1EPHX2NPC1
SCHEMBL4664827 0.82 ELANE (0.40) ALDH1A1SMN1; SMN2TAAR1EPHX2NPC1
SCHEMBL4664830 0.82 ELANE (0.40) ALDH1A1SMN1; SMN2TAAR1EPHX2NPC1
SCHEMBL4664824 0.82 ELANE (0.40) ALDH1A1SMN1; SMN2TAAR1EPHX2NPC1
SCHEMBL4666618 0.81 ELANE (0.43) ALDH1A1TAAR1
SCHEMBL4666616 0.81 ELANE (0.43) ALDH1A1TAAR1
SCHEMBL4662984 0.80 MEN1 (0.41) SMN1; SMN2LMNARECQLEPHX2EPHX1

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 6 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
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 ALDH1A1 2826/4885CYP2C19 1751/4885SMN1; SMN2 1277/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885CYP2C19 1751/4885SMN1; SMN2 1277/4885

“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.