SCHEMBL6697631

SCHEMBL6697631

[CH2]CCCC(C#CC)C#CCCCCCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.33
PTPN7 P35236 4/20 0.33
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7064860 0.77 TSHR (0.34)
SCHEMBL7713668 0.76 TSHR (0.31)
SCHEMBL690606 0.73 TSHR (0.34) HMGCRPTPN7RECQLTDP1
SCHEMBL5517525 0.72 HMGCR (0.40) HMGCRPTPN7RECQLTDP1
SCHEMBL7569413 0.72 HMGCR (0.40) HMGCRPTPN7RECQLTDP1
SCHEMBL6775172 0.72 HMGCR (0.40) HMGCRPTPN7RECQLTDP1
SCHEMBL4195332 0.72 HMGCR (0.40) HMGCRPTPN7RECQLTDP1
SCHEMBL3989043 0.71 PTPN7 (0.50) HMGCRPTPN7RECQLTDP1
SCHEMBL1475879 0.71 PTPN7 (0.50) HMGCRPTPN7RECQLTDP1
SCHEMBL9681594 0.71 PTPN7 (0.50) HMGCRPTPN7RECQLTDP1

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
WO-2014070774-A1 METHODS OF GENERATING BETA-LACTAMASE RESISTANT CARBAPENEM COMPOUNDS SOUTHERN METHODIST UNIVERSITY (US) 2014-05-08 WO disclosed
US-6828338-B2 Protease inhibitor; anticoagulant PHARMACIA CORPORATION 2004-12-07 US disclosed
US-6770759-B2 CEPHALOSPORINS FOR TREATING A BETA -LACTAM RESISTANT BACTERIAL INFECTION IN A MAMMAL; ENZYME INHIBITORS RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-08-03 US disclosed
US-20040002494-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-01-01 US disclosed
US-6624180-B2 Such as 2-(2-(N-((4-aminoiminomethylphenyl)methyl)-3-(3-aminophenyl)-6-(N,N -dimethylhydrazino)-1-oxypyridinyl))acetami de which inhibit serine proteases for preventing and treating thrombotis PHARMACIA CORPORATION 2003-09-23 US disclosed
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 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-20040002494-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT HMGCR 2740/4885PTPN7 1578/4885RECQL 3496/4885
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT HMGCR 2740/4885PTPN7 1578/4885RECQL 3496/4885

“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.