Chloromethane

Chloromethane

SCHEMBL632241

C=CC(=O)OCC[N+](C)(CC)CC.CCl

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 2/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRM1 P11229 5/20 0.43
CHRM2 P08172 4/20 0.43
CHRM4 P08173 3/20 0.43
CHRM3 P20309 3/20 0.43
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL1598545 0.96 TSHR (0.55) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL2733907 0.95 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL10483610 0.93 TSHR (0.52) TSHRHPGDTHRBALDH1A1TP53
Methylsulfanylmethane SCHEMBL10483613 0.93 TSHR (0.52) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL31509595 0.87 TSHR (0.56) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27553632 0.86 TSHR (0.61) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11024591 0.85 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL14335996 0.85 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2470945 0.84 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL5451161 0.84 TSHR (0.59) TSHRHPGDTHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140004200-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-01-02 US disclosed
US-8193267-B2 Polymer compositions with bioactive agent, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-05 US disclosed
EP-1689456-B1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-02-22 EP disclosed
US-20100233273-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2010-09-16 US disclosed
US-7745509-B2 Polymer compositions with bioactive agent, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-06-29 US disclosed
EP-1689456-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS 3M Innovative Properties Company (US) 2006-08-16 EP disclosed
WO-2005056070-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-23 WO disclosed
US-20050124724-A1 Polymer compositions with bioactive agent, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY 2005-06-09 US disclosed
US-20040180093-A1 Polymer compositions with bioactive agent, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-09-16 US 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-20140004200-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS ZRANB2, PUF60, BMP2 TSHR 4202/4885HPGD 2425/4885THRB 4510/4885
US-20100233273-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS BMP2, ZRANB2, PUF60 TSHR 4415/4885HPGD 2396/4885THRB 4357/4885
US-20040180093-A1 Polymer compositions with bioactive agent, medical articles, and methods ZRANB2, PUF60, BMP2 TSHR 4202/4885HPGD 2425/4885THRB 4510/4885

“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.