SCHEMBL921581

SCHEMBL921581

[c]1ccc(Oc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
STS P08842 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL920919 0.96 STS (0.47) HRH3STSSMN1; SMN2TSHRALOX15
SCHEMBL27415227 0.86 STS (0.53) HRH3STSSMN1; SMN2TSHRALOX15
SCHEMBL31312960 0.82 STS (0.59) HRH3STSSMN1; SMN2TSHRALOX15
SCHEMBL21758061 0.81 HRH3 (0.62) HRH3STSSMN1; SMN2TSHRALOX15
SCHEMBL920751 0.80 HRH3 (0.43) HRH3STSSMN1; SMN2TSHRALOX15
SCHEMBL921184 0.79 PDE4B (0.51) HRH3STSRAB9ACA1CA2
SCHEMBL30299250 0.77 HRH3 (0.62) HRH3STSTSHRALOX15HSD17B10
SCHEMBL12472400 0.77 HRH3 (0.62) HRH3STSTSHRALOX15HSD17B10
SCHEMBL921884 0.76 HRH3 (0.43) HRH3STSSMN1; SMN2TSHRALOX15
SCHEMBL5408563 0.76 ALDH1A1 (0.54) HRH3STSSMN1; SMN2TSHRALOX15

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 4 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

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 HRH3 1529/4885STS 175/4885SMN1; SMN2 4796/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HRH3 14/4885STS 857/4885SMN1; SMN2 4604/4885

“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.