SCHEMBL6328916

SCHEMBL6328916

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MMP2 P08253 3/20 0.54
BRD4 O60885 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
MMP3 P08254 3/20 0.51
LTA4H P09960 4/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1285386 0.96 MMP2 (0.61) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL1285929 0.96 MMP2 (0.61) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL7301892 0.95 MMP3 (0.57) MAPTALDH1A1HRH2HRH1HRH3
4-Cyanophenol SCHEMBL8993981 0.94 CYSLTR2 (0.51) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL6336869 0.94 HDAC1 (0.58) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL5522757 0.94 HDAC1 (0.58) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL15970987 0.92 MMP2 (0.59) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL7717980 0.92 PPARD (0.51) MAPTALDH1A1HRH2HRH1HRH3
SCHEMBL7717978 0.92 PPARD (0.51) MAPTALDH1A1HRH2HRH1HRH3
4-Cyanophenol SCHEMBL8994006 0.90 MMP3 (0.52) MAPTALDH1A1HRH2HRH1HRH3

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 13 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
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0513675-B1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-09-11 EP disclosed
EP-0513675-A1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP 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 355/4885HRH2 887/4885

“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.