Chloromethane

Chloromethane

SCHEMBL2534933

CC(=CN(C)C)C(=O)O.CCl

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
Chloromethane SCHEMBL10332764 1.00 TDP1 (0.34) TDP1PTGS1AKR1C3MAPTL3MBTL1
SCHEMBL214693 0.95
SCHEMBL272875 0.95
Methacrylic Acid SCHEMBL27367883 0.85 TDP1 (0.32) TDP1PTGS1AKR1C3
Propionamide SCHEMBL27774233 0.80 FFAR3 (0.31) TDP1ALDH1A1FFAR3
SCHEMBL28067686 0.76
SCHEMBL15930121 0.75
SCHEMBL10473160 0.75
SCHEMBL9720653 0.75
SCHEMBL28619119 0.72 PTGS1 (0.36) PTGS1AKR1C3FFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256510-A1 Use of Quaternary Ammonium Compounds to Inhibit Endogenous MMPs in Tooth Dentin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-10-20 US claimed
WO-2010081104-A1 USE OF POLYMERI ZABLE QUATERNARY AMMONIUM COMPOUNDS TO INHIBIT ENDOGENOUS MMPS IN TOOTH DENTIN MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2010-07-15 WO claimed
JP-2038615-A None JP disclosed
US-20110256510-A1 Use of Quaternary Ammonium Compounds to Inhibit Endogenous MMPs in Tooth Dentin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-10-20 US disclosed
WO-2010081104-A1 USE OF POLYMERI ZABLE QUATERNARY AMMONIUM COMPOUNDS TO INHIBIT ENDOGENOUS MMPS IN TOOTH DENTIN MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2010-07-15 WO disclosed
JP-H0238615-A METHOD FOR IMPROVING QUALITY OF MOIST SURPLUS SOIL KURITA WATER IND LTD 1990-02-08 JP 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-20110256510-A1 Use of Quaternary Ammonium Compounds to Inhibit Endogenous MMPs in Tooth Dentin MMP1, MMP2, MMP7 TDP1 963/4885PTGS1 428/4885AKR1C3 3002/4885

“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.