Acetone

Acetone

SCHEMBL3359266

CC(C)=O.NNc1ncccc1C(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.58
LMNA P02545 3/20 0.54
GAA P10253 1/20 0.54
NAPRT Q6XQN6 2/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL31584327 0.95 DHODH (0.64) DHODHLMNAGAANAPRTMEN1
SCHEMBL188820 0.95 DHODH (0.64) DHODHLMNAGAANAPRTMEN1
Hydrochloric Acid SCHEMBL23388066 0.93 DHODH (0.62) DHODHLMNAGAANAPRTMEN1
SCHEMBL288085 0.81 DHODH (0.60) DHODHLMNAGAANAPRTMEN1
SCHEMBL662027 0.80 ALDH1A1 (0.61) DHODHLMNAGAANAPRTMEN1
SCHEMBL1375514 0.80 DHODH (0.64) DHODHLMNAGAANAPRTMEN1
SCHEMBL29712338 0.80 DHODH (0.64) DHODHLMNAGAANAPRTMEN1
Hydrochloric Acid SCHEMBL7084810 0.79 ALDH1A1 (0.59) DHODHLMNAGAANAPRTMEN1
SCHEMBL9142184 0.79 ALDH1A1 (0.59) DHODHLMNAGAANAPRTMEN1
SCHEMBL9616246 0.78 DHODH (0.66) DHODHLMNAGAANAPRTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117360-A1 METHOD FOR ANALYZING SUGAR CHAIN NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-04-20 US disclosed
US-10744211-B2 Trifunctional and completely clearable specific targeting agents and methods thereof UNIVERSITY OF MASSACHUSETTS (US) 2020-08-18 US disclosed
US-20180250425-A1 TRIFUNCTIONAL AND COMPLETELY CLEARABLE SPECIFIC TARGETING AGENTS AND METHODS THEREOF UNIV MASSACHUSETTS (US) 2018-09-06 US disclosed
US-20140308205-A1 TRIFUNCTIONAL AND COMPLETELY CLEARABLE SPECIFIC TARGETING AGENTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-16 US disclosed
WO-2010021639-A1 ATTOMOLAR PROTEIN DETECTION IN COMPLEX DAMLE MATRICES WITH SEMI-HOMOGENEOUS FLUIDIC FORCE DISCRIMINATION ASSAYS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-02-25 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 (3 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-20140308205-A1 TRIFUNCTIONAL AND COMPLETELY CLEARABLE SPECIFIC TARGETING AGENTS AND METHODS THEREOF FCGR3B, FCGR2A, FCGR1A DHODH 852/4885LMNA 4444/4885GAA 45/4885
US-20180250425-A1 TRIFUNCTIONAL AND COMPLETELY CLEARABLE SPECIFIC TARGETING AGENTS AND METHODS THEREOF FCGR3B, FCGR2A, FCGR1A DHODH 852/4885LMNA 4444/4885GAA 45/4885
US-10744211-B2 Trifunctional and completely clearable specific targeting agents and methods thereof FCGR3B, FCGR2A, FCGR1A DHODH 852/4885LMNA 4444/4885GAA 45/4885

“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.