SCHEMBL920557

SCHEMBL920557

COc1cccc(Oc2cc[c]o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
MTNR1B P49286 3/20 0.39
MTNR1A P48039 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL922362 0.83 ALDH1A1 (0.46) SMN1; SMN2ACHEALDH1A1MEN1KMT2A
SCHEMBL1711875 0.82 CA1 (0.44) ACHEALDH1A1CA1CA2CA7
SCHEMBL919562 0.79 SLC6A4 (0.35) ALDH1A1KDM4EMAPT
SCHEMBL921601 0.77 LTA4H (0.46) CA1CA2CA9KDM4EKMT2A
SCHEMBL1061713 0.74 SMN1; SMN2 (0.72) SMN1; SMN2ACHEALDH1A1CA1CA2
SCHEMBL13167638 0.74 SMN1; SMN2 (0.72) SMN1; SMN2ACHEALDH1A1CA1CA2
SCHEMBL30053231 0.74 SMN1; SMN2 (0.72) SMN1; SMN2ACHEALDH1A1CA1CA2
SCHEMBL29929943 0.74 SMN1; SMN2 (0.72) SMN1; SMN2ACHEALDH1A1CA1CA2
SCHEMBL170531 0.72
SCHEMBL27610596 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1

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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX SMN1; SMN2 4766/4885ACHE 1974/4885ALDH1A1 3801/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 SMN1; SMN2 4796/4885ACHE 3081/4885ALDH1A1 2743/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SMN1; SMN2 4604/4885ACHE 4121/4885ALDH1A1 4326/4885

“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.