SCHEMBL921879

SCHEMBL921879

CCCCC#CCOc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
ADAM17 P78536 3/20 0.38
MMP13 P45452 2/20 0.38
MMP9 P14780 1/20 0.38
MMP1 P03956 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LTA4H P09960 2/20 0.34
PPARA Q07869 1/20 0.34
NR5A1 Q13285 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL920286 0.89 ALDH1A1 (0.38) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL919681 0.83 MTNR1A (0.43) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL919893 0.82 KCNH2 (0.35) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL3848142 0.81 KCNH2 (0.35) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL920013 0.80 KCNH2 (0.34) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL920519 0.77 ADAM17 (0.46) ADAM17MMP13MMP9MMP1
SCHEMBL49992 0.77 LTA4H (0.55) LTA4HNR5A1CYP3A4CYP2D6
SCHEMBL921829 0.76 LTA4H (0.35) KDM4EALDH1A1LTA4HNR5A1CYP3A4
SCHEMBL28106770 0.75 LTA4H (0.53) LTA4HNR5A1CYP3A4CYP2D6
SCHEMBL60563 0.75 NR5A1 (0.57) LTA4HNR5A1

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
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KCNH2 2433/4885ADAM17 4376/4885MMP13 4062/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KCNH2 669/4885ADAM17 4221/4885MMP13 4278/4885

“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.