SCHEMBL921437

SCHEMBL921437

COc1cccc(Sc2cc[c]cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
PTGIR P43119 1/20 0.46
EDNRA P25101 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
IDO1 P14902 1/20 0.43
DHFR P00374 1/20 0.43
ACHE P22303 1/20 0.42
HTR1A P08908 1/20 0.42
HTR3A P46098 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
HTR2C P28335 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
P4HB P07237 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL10709610 0.87 MTNR1A (0.57) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL3164341 0.87 ACHE (0.54) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL31425668 0.87 ACHE (0.54) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL13163776 0.85 EDNRA (0.54) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL24433577 0.85 ACHE (0.52) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL9770219 0.83 HTR2C (0.55) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL31345530 0.80 ACHE (0.53) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL3484059 0.80 ACHE (0.53) MTNR1AMTNR1BPTGIREDNRAABCG2
SCHEMBL920051 0.79 PTGIR (0.52) PTGIRACHEHTR2CCA1CA2
SCHEMBL4806373 0.79 IDO1 (0.56) MTNR1AMTNR1BPTGIREDNRAABCG2

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-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 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 (3 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-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 MTNR1A 950/4885MTNR1B 874/4885PTGIR 4543/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MTNR1A 1569/4885MTNR1B 1601/4885PTGIR 3430/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MTNR1A 1415/4885MTNR1B 2111/4885PTGIR 4201/4885

“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.