SCHEMBL846498

SCHEMBL846498

COC(=O)c1cccc(-c2cccc(OCCCCCCOC3CCCCO3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4C Q9H3R0 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTSA P10619 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
CNR2 P34972 2/20 0.38
FAAH O00519 2/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL848069 0.85 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL846739 0.80 LTB4R (0.43) CTSAALDH1A1CNR2FAAHCES1
SCHEMBL7845227 0.79 MTNR1A (0.44) CTSAALDH1A1CNR2FAAHCES1
Hydrochloric Acid SCHEMBL847470 0.78 MTNR1A (0.43) CTSAALDH1A1CNR2FAAHCES1
SCHEMBL7848484 0.78 HDAC1 (0.45) CNR2FAAHCES1HDAC1HDAC2
SCHEMBL18384481 0.78 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL861993 0.78 LTB4R (0.41) CTSACNR2FAAHCES1HDAC1
SCHEMBL847238 0.77 SUCNR1 (0.60) CNR2
SCHEMBL2499084 0.76 KMT2A (0.53) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL846487 0.75 CTSA (0.40) CTSACNR2FAAHCES1HDAC1

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
US-8703700-B2 Bimacrocylic HCV NS3 protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
EP-2432318-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS Sequoia Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC MEN1 4791/4885KMT2A 4266/4885KDM4C 3297/4885

“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.