SCHEMBL921077

SCHEMBL921077

Fc1cc(-c2ccccc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.43
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B1 P14061 3/20 0.36

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
SCHEMBL7915311 0.73 HSD17B1 (0.61) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL927627 0.71 ALDH1A1 (0.44) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL883778 0.71 ALDH1A1 (0.44) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL196775 0.71 CYP1A2 (0.44) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL2897323 0.71 ALDH1A1 (0.45) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL5695918 0.71 ALDH1A1 (0.43) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL8588923 0.70 HDAC6 (0.42) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
Biphenyl SCHEMBL5068276 0.69 ALDH1A1 (0.90) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
Fluoride SCHEMBL21987871 0.68 HDAC6 (0.41) HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6
Biphenyl SCHEMBL4002609 0.66 ALDH1A1 (1.00) ALDH1A1CYP2E1CYP2A6CYP2B6NOTUM

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 HDAC6 401/4885ALDH1A1 2743/4885CYP2E1 972/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HDAC6 1195/4885ALDH1A1 4326/4885CYP2E1 2014/4885

“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.