SCHEMBL7848484

SCHEMBL7848484

COC(=O)c1cccc(-c2cccc(OCCCCCC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
SUCNR1 Q9BXA5 4/20 0.45
LTB4R Q15722 2/20 0.43
CNR2 P34972 1/20 0.43
CES1 P23141 4/20 0.42
FAAH O00519 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41
P2RY12 Q9H244 3/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL846743 0.90 HDAC1 (0.47) HDAC1HDAC2SUCNR1LTB4RP2RY12
SCHEMBL847238 0.86 SUCNR1 (0.60) SUCNR1CNR2
SCHEMBL846739 0.84 LTB4R (0.43) HDAC1HDAC2LTB4RCNR2CES1
SCHEMBL7845227 0.83 MTNR1A (0.44) HDAC1HDAC2LTB4RCNR2CES1
Hydrochloric Acid SCHEMBL847470 0.82 MTNR1A (0.43) HDAC1HDAC2LTB4RCNR2CES1
SCHEMBL861993 0.81 LTB4R (0.41) HDAC1HDAC2LTB4RCNR2CES1
SCHEMBL846487 0.79 CTSA (0.40) HDAC1HDAC2SUCNR1LTB4RCNR2
SCHEMBL846498 0.78 MEN1 (0.49) HDAC1HDAC2CNR2CES1FAAH
SCHEMBL7170143 0.78 CNR2 (0.44) CNR2CES1FAAHNCEH1P2RY12
SCHEMBL31286721 0.75 MAPK1 (0.43) HDAC1HDAC2P2RY12HDAC8HDAC6

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 5 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
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 HDAC1 1450/4885HDAC2 2204/4885SUCNR1 4529/4885

“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.