SCHEMBL846739

SCHEMBL846739

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
CNR2 P34972 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
DHODH Q02127 1/20 0.43
CES1 P23141 4/20 0.42
FAAH O00519 2/20 0.42
CTSA P10619 2/20 0.42
NCEH1 Q6PIU2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7845227 0.90 MTNR1A (0.44) LTB4RMAPTGAACYP1A2RECQL
Hydrochloric Acid SCHEMBL847470 0.89 MTNR1A (0.43) LTB4RMAPTGAACYP1A2RECQL
SCHEMBL861993 0.88 LTB4R (0.41) LTB4RMAPTGAACYP1A2RECQL
SCHEMBL846487 0.85 CTSA (0.40) LTB4RMAPTGAACYP1A2RECQL
SCHEMBL7848484 0.84 HDAC1 (0.45) LTB4RCNR2HDAC1HDAC2CES1
SCHEMBL847238 0.82 SUCNR1 (0.60) CNR2
SCHEMBL848073 0.81 MAOA (0.47) MAPTGAAHDAC1HDAC2KDM4E
SCHEMBL846498 0.80 MEN1 (0.49) CNR2HDAC1HDAC2CES1FAAH
SCHEMBL22940145 0.79 PLA2G2A (0.55) MAPTCYP1A2SMN1; SMN2POLBLMNA
SCHEMBL847234 0.78 SMPD1 (0.53) MAPTGAACNR2FAAHSMN1; SMN2

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 LTB4R 2013/4885MAPT 4119/4885GAA 179/4885

“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.