SCHEMBL921804

SCHEMBL921804

CSc1ccc(Oc2cc[c]cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.42
HRH3 Q9Y5N1 5/20 0.40
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 5/20 0.38
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
NTRK1 P04629 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
NTRK2 Q16620 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11229125 0.80 ALDH1A1 (0.46) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL923687 0.80 AR (0.49) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL920577 0.79 GAA (0.41) SLC6A4HTR2AKCNH2GAA
SCHEMBL920995 0.76 ST14 (0.47) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL921773 0.76 CYP1A1 (0.42) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL2266321 0.76 PGR (0.39) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4229054 0.76 ALDH1A1 (0.42) KDM4EALDH1A1MAPTTSHR
SCHEMBL2262676 0.75 KDM4E (0.44) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL2096609 0.74 HTR2A (0.35) SLC6A4HTR2AKCNH2ALDH1A1
SCHEMBL11233854 0.74 HTT (0.51) SLC6A4KDM4EALDH1A1GAAMAPT

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 SLC6A4 2590/4885HRH3 1529/4885SLC6A2 3667/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SLC6A4 3323/4885HRH3 14/4885SLC6A2 3159/4885

“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.