SCHEMBL10148629

SCHEMBL10148629

CCC1O[C@H](C)C(OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LGALS9 O00182 1/20 0.40
LGALS1 P09382 1/20 0.40
LGALS3 P17931 1/20 0.40
LGALS7; LGALS7B P47929 1/20 0.40
TACR2 P21452 4/20 0.38
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SELP P16109 5/20 0.36

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
SCHEMBL10148622 0.90 LGALS9 (0.46) NT5ETDP1KMT2ASLC6A2SLC6A3
SCHEMBL11981213 0.90 LGALS9 (0.46) NT5ETDP1KMT2ASLC6A2SLC6A3
SCHEMBL13707194 0.90 LGALS9 (0.46) NT5ETDP1KMT2ASLC6A2SLC6A3
SCHEMBL18874981 0.88 LGALS9 (0.46) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12747029 0.88 LGALS9 (0.46) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12150955 0.88 LGALS9 (0.46) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL17320700 0.88 LGALS9 (0.46) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14850038 0.85 PDPK1 (0.39) SLC6A2TACR2PDPK1MTORTSHR
SCHEMBL769692 0.85 PDPK1 (0.39) SLC6A2TACR2PDPK1MTORTSHR
SCHEMBL9880215 0.84 LGALS9 (0.45) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243018-B2 Synthetic heparin pentasaccharides DR. REDDY'S LABORATORIES, SA (CH) 2016-01-26 US disclosed
US-20150005485-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2015-01-01 US disclosed
US-8404833-B2 Synthetic heparin disaccharides ALCHEMIA LIMITED (AU) 2013-03-26 US disclosed
US-20120220759-A1 SYNTHETIC HEPARIN DISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-30 US disclosed
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-16 US disclosed
US-8114970-B2 Synthetic heparin monosaccharides ALCHEMIA LIMITED (AU) 2012-02-14 US disclosed
US-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2009-07-23 US disclosed
US-7541445-B2 Synthetic heparin pentasaccharides ALCHEMIA LIMITED (AU) 2009-06-02 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 (4 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-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A NT5E 1426/4885TDP1 4539/4885KMT2A 3396/4885
US-20120220759-A1 SYNTHETIC HEPARIN DISACCHARIDES HPSE, DDOST, STT3A NT5E 1999/4885TDP1 4431/4885KMT2A 3285/4885
US-20150005485-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A NT5E 1337/4885TDP1 4420/4885KMT2A 3247/4885
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES HPSE, SERPINC1, DDOST NT5E 2978/4885TDP1 4263/4885KMT2A 3057/4885

“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.