SCHEMBL2493301

SCHEMBL2493301

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MGLL Q99685 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
P2RX7 Q99572 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4986617 1.00 NPC1 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL594792 1.00 NPC1 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL3390440 0.87 ALDH1A1 (0.34) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL3497068 0.84 CES2 (0.34) NPC1RAB9AMGLLALDH1A1P2RX7
SCHEMBL6842407 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL5707587 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL2907033 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL8960840 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL5044476 0.77 SLC6A2 (0.33) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL3395341 0.77 HTT (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT NPC1 4275/4885RAB9A 3743/4885MGLL 3335/4885

“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.