SCHEMBL16655334

SCHEMBL16655334

C=CCCCn1ccnc1C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR8 Q9NR97 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ARG1 P05089 1/20 0.31

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
SCHEMBL5657514 0.83 ALDH1A1 (0.58) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL15332214 0.81 KMT2A (0.38) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL16654829 0.81 ACHE (0.39) ALDH1A1POLBKMT2ATLR8ARG1
SCHEMBL20626690 0.81 ACHE (0.39) ALDH1A1POLBKMT2ATLR8ARG1
SCHEMBL16654830 0.81 ACHE (0.39) ALDH1A1POLBKMT2ATLR8ARG1
SCHEMBL2086433 0.80 ADORA2B (0.35)
SCHEMBL15330327 0.79 TLR8 (0.39) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL16664096 0.79 ALDH1A1 (0.37) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL15333000 0.79 CCNE1 (0.37) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL5655364 0.78 TLR8 (0.57) ALDH1A1POLBKMT2ATLR8CA12

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-10172831-B2 Catalytic scavengers of organophosphates to potentiate butyrylcholinesterase (hBChE) as a catalytic bioscavenger and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-08 US disclosed
US-20160256438-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (hBChE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM UNIV CALIFORNIA (US) 2016-09-08 US disclosed
EP-3057582-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (BCHE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM The Regents of the University of California (US) 2016-08-24 EP disclosed
WO-2015057822-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (BCHE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-23 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-10172831-B2 Catalytic scavengers of organophosphates to potentiate butyrylcholinesterase (hBChE) as a catalytic bioscavenger and methods for making and using them BCHE, ACHE, HMBS ALDH1A1 448/4885POLB 1428/4885KMT2A 2289/4885
US-20160256438-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (hBChE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM BCHE, ACHE, HMBS ALDH1A1 448/4885POLB 1428/4885KMT2A 2289/4885

“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.