SCHEMBL4727614

SCHEMBL4727614

C1=CC(Cc2ccccc2)OO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
GRM2 Q14416 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CTRB1 P17538 1/20 0.33
CALM1 P0DP23 1/20 0.33
TLR9 Q9NR96 1/20 0.33
FASN P49327 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
SCHEMBL6129603 0.69 GBA1 (0.33) GBA1TAAR1TDP1SLC6A2SLC6A4
SCHEMBL4357593 0.64 CALM1 (0.45) GBA1CALM1
SCHEMBL56215 0.64 TAAR1 (0.41) GBA1TAAR1TDP1SLC6A2SLC6A4
SCHEMBL6432088 0.62 SLC6A2 (0.44) GBA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL31231840 0.62 TLR9 (0.47) GBA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4623291 0.61 CALM1 (0.41) GBA1CALM1
SCHEMBL25585 0.60 ALDH1A1 (0.41) GBA1
SCHEMBL5794073 0.59 CALM1 (0.39) GBA1CALM1
SCHEMBL6002826 0.59 CALM1 (0.39) GBA1CALM1
SCHEMBL51254 0.59 SLC6A2 (0.50) GBA1GRM2TAAR1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017031255-A1 INHIBITORS OF RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-23 WO claimed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US claimed
US-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
WO-2017031255-A1 INHIBITORS OF RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-23 WO disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
WO-2015084731-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-06-11 WO disclosed
WO-2008021250-A2 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING BCL-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-02-21 WO 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-20170050931-A1 INHIBITORS OF RPN11 POLR2A, RPP30, RPIA GBA1 246/4885GRM2 3008/4885TAAR1 3058/4885
US-10005735-B2 Inhibitors of RPN11 POLR2A, RPP30, RPIA GBA1 246/4885GRM2 3008/4885TAAR1 3058/4885

“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.