SCHEMBL4615262

SCHEMBL4615262

COc1cc(O)cc(OC)c1Br

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.64
ALOX5 P09917 5/20 0.64
MAPT P10636 2/20 0.61
CYP3A4 P08684 1/20 0.61
MAOB P27338 1/20 0.50
TDP1 Q9NUW8 1/20 0.44
ERN1 O75460 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP1A1 P04798 1/20 0.41
PTGS1 P23219 1/20 0.41
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SYNJ2 O15056 1/20 0.39

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
SCHEMBL23580916 0.86 ALOX5 (0.55) PTGS2ALOX5MAPTCYP3A4MAOB
SCHEMBL23580874 0.80 ERN1 (0.54) PTGS2ALOX5MAPTCYP3A4TDP1
SCHEMBL17410779 0.79 ALOX5 (0.52) PTGS2ALOX5MAPTCYP3A4MAOB
SCHEMBL18585967 0.78 ALOX5 (1.00) PTGS2ALOX5MAPTCYP3A4MAOB
SCHEMBL24379242 0.78 POLB (0.54) PTGS2ALOX5MAPTCYP3A4POLB
SCHEMBL70379 0.78 ALOX5 (0.70) PTGS2ALOX5MAPTCYP3A4MAOB
SCHEMBL28771987 0.78 ERN1 (0.47) PTGS2ALOX5MAPTERN1NPSR1
SCHEMBL8064768 0.78 CYP3A4 (0.67) PTGS2ALOX5MAPTCYP3A4MAOB
SCHEMBL2386116 0.77 MAPT (0.71) PTGS2ALOX5MAPTCYP3A4MAOB
SCHEMBL6432818 0.76 ALOX5 (0.43) PTGS2ALOX5MAPTCYP3A4MAOB

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
EP-1481730-B1 Process for the production of phenolic compounds using zeolite beta of the proton-type, UBE INDUSTRIES (JP) 2008-01-23 EP disclosed
US-7285688-B2 Proton type β zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES, LTD. (JP) 2007-10-23 US disclosed
US-20040242938-A1 Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
EP-1481730-A1 New zeolite beta of the proton-type, process for its preparation and production of phenolic compounds using the same Ube Industries, Ltd. (JP) 2004-12-01 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 (1 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-20040242938-A1 Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same HPD, PAH, TPSD1 PTGS2 1096/4885ALOX5 1320/4885MAPT 3796/4885

“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.