SCHEMBL9912486

SCHEMBL9912486

CC#CCOC(=O)CCCCC(=O)OCC#CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
GSTP1 P09211 1/20 0.43
PAM P19021 2/20 0.39
CYP1A2 P05177 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL10011974 0.98 DGKA (0.47) DGKAGSTP1PAMCYP1A2MMP1
SCHEMBL10009668 0.95 TSHR (0.42) DGKAGSTP1PAMCYP1A2MMP1
SCHEMBL10011358 0.92 TSHR (0.45) GSTP1PAMTSHRLMNAALDH1A1
SCHEMBL2325380 0.91 MMP1 (0.40) DGKAGSTP1CYP1A2MMP1MMP2
SCHEMBL28372049 0.90 DGKA (0.60) DGKAPAMTSHRMAPTLMNA
SCHEMBL11748323 0.90 DGKA (0.60) DGKAPAMTSHRMAPTLMNA
SCHEMBL28370990 0.90 DGKA (0.60) DGKAPAMTSHRMAPTLMNA
SCHEMBL10011979 0.90 PAM (0.46) PAMTSHRLMNAALDH1A1TDP1
SCHEMBL2341660 0.90 DGKA (0.48) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL9567418 0.88 GSTP1 (0.36) DGKAGSTP1PAMCYP1A2MMP1

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
EP-3156461-B1 UV CURABLE INKJET INKS AGFA NV (BE) 2020-04-01 EP disclosed
US-10513620-B2 UV curable inkjet inks AGFA NV (BE) 2019-12-24 US disclosed
US-20190071578-A1 UV CURABLE INKJET INKS AGFA NV (BE) 2019-03-07 US disclosed
EP-3156462-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-19 EP disclosed
EP-3156461-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-19 EP disclosed
EP-3156463-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-19 EP disclosed
EP-2464635-B1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES SCRIPPS RESEARCH INST (US) 2015-09-16 EP disclosed
US-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
US-8927736-B2 Copper catalyzed cycloaddition of organic azides and 1-haloalkynes THE SCRIPPS RESEARCH INSTITUTE (US) 2015-01-06 US disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
US-20120142935-A1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-07 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-20120142935-A1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES AOC3, AOC2, CBR3 DGKA 3038/4885GSTP1 4301/4885PAM 1304/4885
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME SLC8A1, OR10J3, SLC8B1 DGKA 1127/4885GSTP1 3928/4885PAM 2577/4885

“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.