SCHEMBL920286

SCHEMBL920286

CCCC#CCOc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KCNH2 Q12809 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ADAM17 P78536 4/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NQO1 P15559 1/20 0.33
MTNR1A P48039 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GRM5 P41594 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL921879 0.89 KCNH2 (0.42) ALDH1A1KCNH2KDM4EADAM17MMP9
SCHEMBL919681 0.86 MTNR1A (0.43) ALDH1A1KCNH2KDM4EADAM17MMP9
SCHEMBL920642 0.85 LTA4H (0.36) ALDH1A1KDM4EMEN1KMT2ANQO1
SCHEMBL920460 0.81 KCNH2 (0.33) ALDH1A1KCNH2KDM4EADAM17MMP9
SCHEMBL920519 0.80 ADAM17 (0.46) ADAM17MMP9MMP13MMP1
SCHEMBL3846305 0.80 MTNR1A (0.34) ALDH1A1KCNH2KDM4EADAM17MMP9
SCHEMBL919056 0.79 MTNR1A (0.33) ALDH1A1KCNH2KDM4EADAM17MMP9
SCHEMBL9155604 0.76 KCNH2 (0.40) ALDH1A1KCNH2KDM4E
SCHEMBL919503 0.73 CHRNB2 (0.35) ALDH1A1KDM4ENQO1GAA
SCHEMBL22494 0.73 SYK (0.37) ALDH1A1KDM4EGAA

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 ALDH1A1 2743/4885KCNH2 2433/4885KDM4E 3657/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885KCNH2 669/4885KDM4E 3733/4885

“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.