SCHEMBL14005175

SCHEMBL14005175

O=C(OCCOCCOC(=O)N(CCO)CCO)N(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14433146 0.93 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL2822780 0.86 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL23659151 0.82 MEN1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL22098728 0.82 MEN1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL13448559 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL14005100 0.80 CA12 (0.41) CHRNB2CHRNA4TSHRALDH1A1TP53
SCHEMBL16172020 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL10619053 0.77 MEN1 (0.46) MEN1KMT2ATSHRALDH1A1MAPK1
SCHEMBL24092261 0.75 MEN1 (0.37) CHRNB2CHRNA4MEN1KMT2ATSHR
SCHEMBL14005163 0.75 CA12 (0.38) CHRNB2CHRNA4MEN1KMT2ATSHR

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-11053191-B2 Hydroxy functional alkyl carbamate crosslinkers PPG INDUSTRIES OHIO, INC. (US) 2021-07-06 US disclosed
US-20190210962-A1 HYDROXY FUNCTIONAL ALKYL CARBAMATE CROSSLINKERS PPG INDUSTRIES OHIO, INC. 2019-07-11 US disclosed
US-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-11-27 US disclosed
US-7351855-B2 Chemically defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-04-01 US disclosed
US-20070254851-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY 2007-11-01 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 (4 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-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF SSB, PCNA, NCL CHRNB2 4396/4885CHRNA4 4478/4885CHRNB4 4340/4885
US-20190210962-A1 HYDROXY FUNCTIONAL ALKYL CARBAMATE CROSSLINKERS C9, JMJD6, CBR3 CHRNB2 2029/4885CHRNA4 1656/4885CHRNB4 1977/4885
US-11053191-B2 Hydroxy functional alkyl carbamate crosslinkers C9, JMJD6, CBR3 CHRNB2 2029/4885CHRNA4 1656/4885CHRNB4 1977/4885
US-20070254851-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof SSB, PCNA, NCL CHRNB2 4396/4885CHRNA4 4478/4885CHRNB4 4340/4885

“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.