SCHEMBL3395341

SCHEMBL3395341

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
P2RX7 Q99572 1/20 0.33
PIK3CD O00329 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MGLL Q99685 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
HTR2B P41595 1/20 0.30
MAPK14 Q16539 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4411815 0.89 CTNNB1 (0.32) HTTP2RX7CTNNB1WNT3AALDH1A1
SCHEMBL8960840 0.87 SLC6A2 (0.33) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL6842407 0.87 SLC6A2 (0.33) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL2907033 0.87 SLC6A2 (0.33) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL5707587 0.87 SLC6A2 (0.33) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL4750928 0.86 SLC6A2 (0.31) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL5707571 0.85 P2RX7 (0.32) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL4982728 0.85 P2RX7 (0.32) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL5707632 0.85 P2RX7 (0.32) HTTSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL5044476 0.78 SLC6A2 (0.33) HTTSLC6A2SLC6A4SLC6A3P2RX7

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 2 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 disclosed
US-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides NOVARTIS AG (CH) 2005-03-17 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-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides DUT, DERA, RNASEL HTT 1660/4885SLC6A2 1155/4885SLC6A4 1967/4885

“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.