SCHEMBL12551920

SCHEMBL12551920

CC1[C@H](C)OC(COCc2ccccc2)[C@@H](O)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
HSPA5 P11021 1/20 0.41
TSHR P16473 1/20 0.40
TACR2 P21452 2/20 0.39
PDE4D Q08499 1/20 0.39
PDE2A O00408 1/20 0.39
HTT P42858 1/20 0.39
GJB2 P29033 1/20 0.38
HOGA1 Q86XE5 1/20 0.37
SSTR4 P31391 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.36
NT5E P21589 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
SCHEMBL16158856 1.00 SLC6A2 (0.46) SLC6A2HSPA5TSHRTACR2PDE4D
SCHEMBL15869485 0.88 SLC6A2 (0.44) SLC6A2HSPA5TSHRTACR2PDE4D
SCHEMBL22677691 0.88 SLC6A2 (0.44) SLC6A2HSPA5TSHRTACR2PDE4D
SCHEMBL12136335 0.87 SLC6A2 (0.46) SLC6A2HSPA5TSHRTACR2PDE4D
SCHEMBL16158862 0.86 TSHR (0.44) SLC6A2TSHRPDE4DHTTSSTR4
SCHEMBL16158879 0.86 TSHR (0.44) SLC6A2TSHRPDE4DHTTSSTR4
SCHEMBL16625047 0.86 TSHR (0.44) SLC6A2TSHRPDE4DHTTSSTR4
SCHEMBL18499302 0.86 TSHR (0.44) SLC6A2TSHRPDE4DHTTSSTR4
SCHEMBL14413233 0.86 TACR2 (0.48) SLC6A2TACR2PDE4DGJB2SSTR4
SCHEMBL14039087 0.86 SLC6A2 (0.46) SLC6A2HSPA5TSHRTACR2PDE4D

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-20110144042-A1 Novel Polysaccharides with Antithrombotic Activity Comprising at Least One Covalent Bond with Biotin or a Biotin Derivative SANOFI-AVENTIS (FR) 2011-06-16 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-20110144042-A1 Novel Polysaccharides with Antithrombotic Activity Comprising at Least One Covalent Bond with Biotin or a Biotin Derivative SERPINC1, SELP, FGB SLC6A2 4762/4885HSPA5 3361/4885TSHR 2341/4885

“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.