SCHEMBL10148772

SCHEMBL10148772

CC1[C@H]([SrH])OC(CO)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.46
SLC6A2 P23975 1/20 0.43
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 1/20 0.41
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
LGALS8 O00214 1/20 0.37
BCHE P06276 1/20 0.36
PTPN1 P18031 1/20 0.35
CDC25B P30305 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
SCHEMBL10148770 0.87 SSTR1 (0.39) TACR2SLC6A2TSHRPDPK1MTOR
SCHEMBL10408203 0.85 PDE4D (0.51) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL10408205 0.85 PDE4D (0.51) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL10148773 0.83 TACR2 (0.43) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL26836197 0.82 TACR2 (0.47) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL9045441 0.82 TACR2 (0.47) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL18733216 0.82 TACR2 (0.47) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL13449591 0.80 SLC6A2 (0.47) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL16076881 0.80 SLC6A2 (0.48) TACR2SLC6A2TSHRCYP2C19PDE4D
SCHEMBL26349674 0.80 SLC6A2 (0.48) TACR2SLC6A2TSHRCYP2C19PDE4D

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-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 (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-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A TACR2 3067/4885SLC6A2 4439/4885TSHR 821/4885

“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.