SCHEMBL2852651

SCHEMBL2852651

C=CCOCCOCCOCCOCCOCCOCCO[C@H]1O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](C(O)C(C)=O)[C@@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]2(O)C(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.35
CYP2D6 P10635 2/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 7/20 0.31
CA9 Q16790 7/20 0.31
CA12 O43570 6/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CA14 Q9ULX7 2/20 0.30
PTPN1 P18031 1/20 0.30
PRKCA P17252 1/20 0.30
AKT1 P31749 1/20 0.30
PTK2 Q05397 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
SCHEMBL2852647 1.00 CA2 (0.35) CA2CYP2D6THRBHSD17B10CA1
SCHEMBL8143628 0.86 CA2 (0.41) CA2CYP2D6THRBHSD17B10CA1
SCHEMBL11108863 0.86 CYP2D6 (0.43) CA2CYP2D6THRBHSD17B10CA1
SCHEMBL5756982 0.84 CYP2D6 (0.42) CA2CYP2D6THRBHSD17B10CA1
SCHEMBL13231375 0.79 CYP2D6 (0.49) CA2CYP2D6THRBHSD17B10CA1
SCHEMBL13410367 0.78 CYP2D6 (0.54) CA2CYP2D6THRBHSD17B10CA1
SCHEMBL11208480 0.77 MEN1 (0.40) CA2CA1CA9CA12MAPK1
SCHEMBL10604482 0.75
SCHEMBL5801560 0.73 PTPN1 (0.38) CA2CYP2D6CA1CA9CA12
SCHEMBL13262418 0.71 CYP2D6 (0.44) CA2CYP2D6THRBHSD17B10CA1

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-20100166695-A1 Multivalent Heterobifunctional Polymers And Methods Of Their Use THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-07-01 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 (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-20100166695-A1 Multivalent Heterobifunctional Polymers And Methods Of Their Use PAICS, ILK, PARG CA2 3406/4885CYP2D6 4579/4885THRB 2902/4885

“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.