SCHEMBL19237476

SCHEMBL19237476

Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCS)nn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 4/20 0.34
LGALS3 P17931 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
F2RL1 P55085 1/20 0.33
OPRM1 P35372 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
SCHEMBL15281169 0.88 MTNR1A (0.35) CA12CA1CA2CA4CA9
SCHEMBL25819734 0.84 POLB (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12377430 0.83 SPR (0.37) F2RL1KDM4ECYP2C19
SCHEMBL15281105 0.82 RAB9A (0.32) CA12CA1CA2CA4CA9
SCHEMBL29310049 0.81 HPGD (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16921665 0.78 GLP1R (0.36) OPRM1FOLH1DGAT1
SCHEMBL25819729 0.78 KMT2A (0.33) LGALS3OPRM1OPRD1OPRK1KDM4E
SCHEMBL18858230 0.78 CA12 (0.32) CA12CA1CA2CA4CA9
SCHEMBL15281128 0.78 CA12 (0.32) CA12CA1CA2CA4CA9
SCHEMBL15281100 0.78 FOLH1 (0.32) CA12CA1CA2CA4CA9

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-20170233731-A1 NOVEL TETRAGALNAC CONTAINING CONJUGATES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES BANK OF AMERICA, N.A. 2017-08-17 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-20170233731-A1 NOVEL TETRAGALNAC CONTAINING CONJUGATES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES CSGALNACT1, GALNT1, FUT6 CA12 587/4885CA1 1353/4885CA2 3376/4885

“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.