SCHEMBL197545

SCHEMBL197545

CCCOC(=O)C(CC(C)C)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.37
CHRNA4 P43681 7/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL197546 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TAS1R3
SCHEMBL15796608 0.86 NAAA (0.46) HCAR2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL15569664 0.84 NAAA (0.44) HCAR2ALDH1A1LMNATSHR
SCHEMBL196404 0.84 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL196403 0.84 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL28402550 0.79 HCAR2 (0.38) TAS1R3TAS1R1HCAR2ALDH1A1LMNA
SCHEMBL197128 0.78 MME (0.42) CHRNB2CHRNA4TAS1R3TAS1R1SMN1; SMN2
SCHEMBL197129 0.78 MME (0.42) CHRNB2CHRNA4TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13205138 0.77 HCAR2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3HCAR2
SCHEMBL13205137 0.77 DNM1 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150079163-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2015-03-19 US disclosed
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. (US) 2014-12-04 US disclosed
US-8900625-B2 Antimicrobial compounds and methods of use NEXMED HOLDINGS, INC. (US) 2014-12-02 US disclosed
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2014-06-19 US disclosed
US-8158330-B2 Resist protective coating composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-17 US disclosed
US-8088537-B2 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20090286182-A1 RESIST PROTECTIVE COATING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090197200-A1 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-06 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-20150079163-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA CHRNB2 4879/4885CHRNA4 4885/4885CHRNB4 4881/4885
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA CHRNB2 4879/4885CHRNA4 4885/4885CHRNB4 4881/4885
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA CHRNB2 4879/4885CHRNA4 4885/4885CHRNB4 4881/4885

“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.