SCHEMBL4664824

SCHEMBL4664824

O=C1OC(CCc2ccccc2)C(O)=C1C(=O)C1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
CTSC P53634 2/20 0.36
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
EPHX2 P34913 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 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
SCHEMBL4664830 1.00 ELANE (0.40) ELANEMMP1MMP2MMP3MMP9
SCHEMBL4664827 1.00 ELANE (0.40) ELANEMMP1MMP2MMP3MMP9
SCHEMBL4666616 0.97 ELANE (0.43) ELANEMMP1MMP2MMP3MMP9
SCHEMBL4666618 0.97 ELANE (0.43) ELANEMMP1MMP2MMP3MMP9
SCHEMBL4665057 0.82 ALDH1A1 (0.42) TAAR1ALDH1A1EPHX2NPC1TP53
SCHEMBL4663001 0.81 ALDH1A1 (0.41) POLBALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4664884 0.79 KMT2A (0.48) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4664888 0.79 KMT2A (0.48) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4664892 0.79 KMT2A (0.48) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4663008 0.76 EPHX2 (0.47) TAAR1EPHX2NPC1TP53EPHX1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ELANE 2694/4885MMP1 138/4885MMP2 159/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ELANE 2694/4885MMP1 138/4885MMP2 159/4885

“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.