SCHEMBL5685254

SCHEMBL5685254

Brc1c[c]ccc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 2/20 0.41
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH1 P35367 1/20 0.34
CTNNB1 P35222 1/20 0.34
SLC6A4 P31645 2/20 0.33
RIPK1 Q13546 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RHEB Q15382 1/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8116155 0.85 MAPT (0.41) LTA4HTSHRLMNAKMT2ASLC6A4
SCHEMBL1691593 0.85 LTA4H (0.41) LTA4HTSHRNTRK1NTRK3NTRK2
SCHEMBL1451604 0.82 LTA4H (0.46) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL8121451 0.81 POLB (0.41) LTA4HLMNAGAAKMT2ASLC6A4
SCHEMBL21630332 0.78 SLC6A4 (0.39) TSHRKMT2ASLC6A4SLC6A2ALDH1A1
SCHEMBL21630320 0.78 SLC6A4 (0.43) LTA4HLMNASLC6A4SLC6A2
SCHEMBL231083 0.77 DPP4 (0.43) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL921134 0.77 LTA4H (0.41) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL5583829 0.77 LTA4H (0.41) LTA4HTSHRNTRK1NTRK2LMNA
SCHEMBL11494846 0.76 ALDH1A1 (0.39) LTA4HTSHRNTRK1NTRK3NTRK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1842516-A Amide compounds and method for controlling plant diseases using the same SUMITOMO CHEMICAL CO (JP) 2006-10-04 CN disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US 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
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP disclosed
CN-1301305-A Serine protease variants with amino acid substitutions PROCTER & GAMBLE (US) 2001-06-27 CN disclosed
CN-1187814-A (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof BASF AG (DE) 1998-07-15 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 LTA4H 1735/4885TSHR 1117/4885NTRK1 4718/4885
US-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 LTA4H 1358/4885TSHR 851/4885NTRK1 4747/4885

“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.