SCHEMBL6328940

SCHEMBL6328940

COC(=O)CCCOc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MMP3 P08254 5/20 0.57
MMP2 P08253 6/20 0.56
MMP1 P03956 1/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MGLL Q99685 2/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LTA4H P09960 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KCNA5 P22460 1/20 0.45

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
SCHEMBL8410486 0.95 MMP3 (0.64) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL4832930 0.95 MMP3 (0.63) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL13087979 0.92 MMP2 (0.62) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL8410478 0.91 MMP3 (0.71) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL1285443 0.90 HDAC1 (0.71) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL1715131 0.87 HDAC1 (0.57) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL6328916 0.84 MAPT (0.55) MAPTALDH1A1MMP3MMP2MMP1
SCHEMBL4841724 0.84 SMN1; SMN2 (0.46) MAPT
SCHEMBL28402111 0.83 LTA4H (0.50) MAPTALDH1A1MMP3LMNAHTT
SCHEMBL6765132 0.81 LTA4H (0.53) MAPTALDH1A1LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867023-B2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2005-03-15 US claimed
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-06-27 US claimed
EP-1201763-A2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-05-02 EP claimed
US-6867023-B2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2005-03-15 US disclosed
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-06-27 US disclosed
EP-1201763-A2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-05-02 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1047695-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2000-11-02 EP disclosed
WO-1999031100-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 1999-06-24 WO 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 (1 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-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material FASN, FFAR1, ACADM MAPT 4818/4885ALDH1A1 355/4885MMP3 2262/4885

“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.