SCHEMBL14005100

SCHEMBL14005100

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNA4 P43681 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.36
TP53 P04637 3/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 1/20 0.35
CA1 P00915 3/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL14005151 0.94 CA12 (0.38) CA12CA2CA9TSHRALDH1A1
SCHEMBL14005163 0.94 CA12 (0.38) CA12CA2CA9TSHRALDH1A1
SCHEMBL22098728 0.92 MEN1 (0.42) CA12CA2CA9TSHRALDH1A1
SCHEMBL6899761 0.86 CA12 (0.44) CA12CA2CA9TSHRALDH1A1
SCHEMBL14388860 0.85 CA12 (0.40) CA12CA2CA9TSHRALDH1A1
SCHEMBL24092261 0.85 MEN1 (0.37) CA12CA2CA9TSHRALDH1A1
SCHEMBL14005179 0.85 DGKA (0.33) CA12CA2CA9TSHRALDH1A1
SCHEMBL8909554 0.83 ALDH1A1 (0.52) CA12CA2CA9TSHRALDH1A1
SCHEMBL14759196 0.81 NAAA (0.50) CA12CA2CA9TSHRALDH1A1
SCHEMBL14005175 0.80 CHRNB2 (0.38) CA12CA2CA9TSHRALDH1A1

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 3 patents. 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
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 (2 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 345/4885CA2 2390/4885CA9 1539/4885
US-20070254851-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof SSB, PCNA, NCL CA12 345/4885CA2 2390/4885CA9 1539/4885

“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.