SCHEMBL903563

SCHEMBL903563

COC(=O)CCCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM5A P29375 2/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CA14 Q9ULX7 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
CTSK P43235 1/20 0.36
BCHE P06276 1/20 0.35
CHRM2 P08172 1/20 0.35
ACHE P22303 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL9354449 0.98 TSHR (0.45) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL2020494 0.93 TSHR (0.47) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL22113731 0.87 HDAC1 (0.41) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL5884651 0.86 MEN1 (0.52) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL18499075 0.85 CA14 (0.54) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL3265219 0.85 CA14 (0.54) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL5024808 0.85 TSHR (0.45) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL5655019 0.84 HDAC1 (0.44) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL23113130 0.83 EPHX2 (0.45) TSHRHDAC1HDAC2HDAC6KMT2A
SCHEMBL15130512 0.83 HDAC6 (0.45) HDAC1HDAC2HDAC6LMNACA14

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-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2013-07-25 US disclosed
US-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2013-07-25 US disclosed
WO-2012042123-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2012-04-05 WO 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-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY BTD, FGB, F13B TSHR 1326/4885HDAC1 333/4885HDAC2 715/4885

“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.