SCHEMBL757706

SCHEMBL757706

COCOc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
NQO1 P15559 1/20 0.35
PTPN1 P18031 1/20 0.33
FYN P06241 3/20 0.32

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
SCHEMBL28302973 0.92 MMP2 (0.32) MMP2MMP3MMP9MMP14NQO1
SCHEMBL3159666 0.83 CTNNB1 (0.39) NQO1
SCHEMBL3589633 0.82 NQO1 (0.50) MMP2MMP3MMP9MMP14NQO1
SCHEMBL483029 0.79 KDM4E (0.41)
SCHEMBL2499531 0.79 NQO1 (0.44) NQO1PTPN1
SCHEMBL6008158 0.77
SCHEMBL919416 0.77 KCNA3 (0.44)
SCHEMBL919131 0.77 KCNA3 (0.39)
SCHEMBL6538593 0.76 KCNA3 (0.48)
SCHEMBL921536 0.76 KCNA3 (0.43)

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 270 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107721836-A One kind synthesis 1,7 2(4 hydroxy phenyls)The method of the ketone of 1,4 diene of heptane 3 沈阳药科大学 2018-02-23 CN claimed
CN-100402152-C Trimerisation of olefins using a catalyst comprising a source of chromium, molybdenum or tungsten and a ligand comprising at least one phosphorus, arsenic or antimony atom bound to at least one (hetero) hydrocarbyl group BP CHEM INT LTD (GB) 2008-07-16 CN claimed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US claimed
CN-1630554-A Trimerisation of olefins using a catalyst containing chromium, molybdenum or tungsten and a ligand containing phosphorus, arsenic or antimony BP CHEM INT LTD (GB) 2005-06-22 CN claimed
US-20030158186-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US claimed
WO-2003059265-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 WO claimed
CN-1091768-C Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 2002-10-02 CN claimed
EP-0888340-B1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-07-17 EP claimed
EP-0776324-B1 ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-06-12 EP claimed
CN-1301264-A Pyrrolidine-3-carboxylic acid derivatives and their use as endothelin antagonists ABBOTT LAB (US) 2001-06-27 CN claimed
EP-0292808-B1 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1994-03-02 EP claimed
US-4988685-A Cephalosporins derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US claimed
EP-0229381-B1 METHIONINE-SUBSTITUTED 1,4-DIHYDROPYRIDINES, PROCESS FOR THE PREPARATION AND THEIR USE BAYER AG (DE) 1990-05-30 EP claimed
US-4849531-A Process for the preparation of 2,3-epoxyamides BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
US-4840946-A Benzazolythio-carbapenem antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US claimed
US-4808622-A ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US claimed
CN-88103202-A Vinyl cephalosporin compound that replaces and preparation method thereof and as the application of medicine 1988-12-21 CN claimed
EP-0292808-A2 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1988-11-30 EP claimed
EP-0268963-A1 Benzazolylthio-carbapenem antibiotics BAYER AG (DE) 1988-06-01 EP claimed
EP-0244717-A2 Process for the preparation of 2,3-epoxyamides BAYER AG (DE) 1987-11-11 EP claimed

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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 MMP2 710/4885MMP3 944/4885MMP9 741/4885
US-20030158186-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 MMP2 1662/4885MMP3 2310/4885MMP9 2380/4885

“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.