SCHEMBL6287588

SCHEMBL6287588

COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CC(=O)O)C(=O)Nc3ccc(C(c4ccc(NC(=O)[C@H](CC(=O)O)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)c4ccc(NC(=O)[C@H](CC(=O)O)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.63
AKR1C2 P52895 1/20 0.58
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL6290890 0.93 HDAC1 (0.68) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL6284082 0.92 HDAC1 (0.60) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL7034718 0.91 HDAC1 (0.63) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL6285462 0.89 HDAC1 (0.65) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL6287887 0.88 HDAC1 (0.59) HDAC1AKR1C2MEN1MAPTHTT
SCHEMBL6287501 0.88 HDAC1 (0.69) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL6290828 0.87 CASP1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6287053 0.87 HDAC1 (0.63) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL6290303 0.87 HDAC1 (0.63) HDAC1AKR1C2HDAC3HDAC4HDAC7
SCHEMBL6287519 0.87 HDAC1 (0.65) HDAC1AKR1C2HDAC3HDAC4HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK HDAC1 3488/4885AKR1C2 2816/4885HDAC3 3546/4885

“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.