SCHEMBL14005151

SCHEMBL14005151

CCCN(CCC)C(=O)OCCOCCOC(=O)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 5/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CA1 P00915 3/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 3/20 0.32
HIF1A Q16665 2/20 0.32

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
SCHEMBL14005163 0.96 CA12 (0.38) CA12CA9CA2MEN1KMT2A
SCHEMBL14005100 0.94 CA12 (0.41) CA12CA9CA2TSHRALDH1A1
SCHEMBL22098728 0.87 MEN1 (0.42) CA12CA9CA2MEN1KMT2A
SCHEMBL16965411 0.83 MEN1 (0.48) CA12CA9MEN1KMT2ATSHR
SCHEMBL22115783 0.82 ALDH1A1 (0.56) MEN1KMT2ATSHRALDH1A1CHRM2
SCHEMBL6899761 0.81 CA12 (0.44) CA12CA9CA2TSHRALDH1A1
SCHEMBL14388860 0.80 CA12 (0.40) CA12CA9CA2TSHRALDH1A1
SCHEMBL24092261 0.80 MEN1 (0.37) CA12CA9CA2MEN1KMT2A
SCHEMBL14005179 0.80 DGKA (0.33) CA12CA9CA2TSHRALDH1A1
SCHEMBL23072783 0.79 CA12 (0.36) CA12CA9CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-11-27 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 (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-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF SSB, PCNA, NCL CA12 345/4885CA9 1539/4885CA2 2390/4885

“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.