SCHEMBL6857748

SCHEMBL6857748

COC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(C)cc3)nc3c2oc2ccccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
P2RX3 P56373 1/20 0.37
UCHL1 P09936 1/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL20305913 0.95 MAPT (0.43) MCL1ALDH1A1MAPTTSHRKDM4E
SCHEMBL6858197 0.92 MAPT (0.37) MCL1ALDH1A1MAPTTSHRKDM4E
SCHEMBL2219949 0.84 ALDH1A1 (0.40) MCL1ALDH1A1MAPTTSHRKDM4E
SCHEMBL2220024 0.83 MCL1 (0.44) MCL1ALDH1A1MAPTTSHRKDM4E
SCHEMBL15305654 0.80 UCHL1 (0.44) MCL1POLBP2RX3UCHL1BCL2
SCHEMBL12033648 0.80 UCHL1 (0.44) MCL1POLBP2RX3UCHL1BCL2
SCHEMBL15177045 0.80 UCHL1 (0.44) MCL1POLBP2RX3UCHL1BCL2
SCHEMBL12033665 0.80 UCHL1 (0.44) MCL1POLBP2RX3UCHL1BCL2
SCHEMBL6857750 0.78 ALDH1A1 (0.41) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL13617190 0.76 TSHR (0.38) ALDH1A1MAPTTSHRKDM4EHSD17B10

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
US-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 US disclosed
US-20110065737-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-17 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-20110065737-A1 HCV PROTEASE INHIBITORS RNASE1, HAVCR2, CTRL MCL1 529/4885ALDH1A1 814/4885MAPT 3434/4885

“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.