SCHEMBL6286645

SCHEMBL6286645

COc1cccc2sc(-c3ccc(O)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.53
APP P05067 2/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CA2 P00918 1/20 0.49
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL2565617 0.86 MAPK1 (0.64) HSP90AA1APPHDAC3HDAC4HDAC1
SCHEMBL8184083 0.85 CA2 (0.53) HSP90AA1APPHDAC3HDAC4HDAC1
SCHEMBL3043658 0.84 APP (0.53) HSP90AA1APPHDAC3HDAC4HDAC1
SCHEMBL3052870 0.82 APP (0.49) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL3051936 0.79 APP (0.52) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL2116664 0.78 HDAC3 (0.58) HSP90AA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6278710 0.75 NPC1 (0.62) APPHDAC4HDAC2HDAC8HDAC6
SCHEMBL24447297 0.73 CA2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28020760 0.73 CA2 (0.57) HSP90AA1APPHDAC3HDAC4HDAC1
SCHEMBL2173724 0.71 CA2 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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-6921827-B2 Process for preparing 3-aryl-benzo{b} thiophenes ELI LILLY AND COMPANY (US) 2005-07-26 US disclosed
US-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes LUKE WAYNE DOUGLAS (US) 2004-07-08 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-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes TBCB, CYP1B1, TST HSP90AA1 1600/4885APP 1569/4885HDAC3 1071/4885

“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.