SCHEMBL3390440

SCHEMBL3390440

Cc1ccccc1C(=O)C(O)[C@H]1OC(O)(C(=O)c2ccccc2C)C[C@@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.32
HSD11B1 P28845 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL4986617 0.87 NPC1 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL594792 0.87 NPC1 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL2493301 0.87 NPC1 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL3395341 0.78 HTT (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL5044476 0.78 SLC6A2 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL2907033 0.77 SLC6A2 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL8960840 0.77 SLC6A2 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL6842407 0.77 SLC6A2 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL5707587 0.77 SLC6A2 (0.33) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL5707632 0.75 P2RX7 (0.32) ALDH1A1HTTSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157095-A2 Synthesis of beta-L-2-Deoxy nucleosides Novartis Ag (CH) 2010-02-24 EP claimed
EP-1639121-A4 SYNTHESIS OF BETA -L-2-DEOXY NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-04-16 EP claimed
EP-1639121-A2 SYNTHESIS OF BETA -L-2-DEOXY NUCLEOSIDES Idenix (Cayman) Limited (KY) 2006-03-29 EP claimed
US-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides NOVARTIS AG (CH) 2005-03-17 US claimed
WO-2005003374-A2 SYNTHESIS OF β-L-2-DEOXY NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2005-01-13 WO claimed
WO-1998039347-A2 SYNTHESIS OF L-RIBOSE AND 2-DEOXY L-RIBOSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-09-11 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-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides DUT, DERA, RNASEL ALDH1A1 1187/4885HTT 1660/4885SLC6A2 1155/4885

“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.