SCHEMBL6287825

SCHEMBL6287825

COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)Nc3ccc(C(c4ccc(NC(=O)[C@H](Cc5ccc(OCc6ccccc6)cc5)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)c4ccc(NC(=O)[C@H](Cc5ccc(OCc6ccccc6)cc5)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.59
HDAC8 Q9BY41 6/20 0.53
HDAC3 O15379 6/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC4 P56524 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
AKR1C2 P52895 1/20 0.47

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
SCHEMBL6285462 0.94 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6290249 0.92 HDAC8 (0.50) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6287690 0.88 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6290426 0.85 HDAC1 (0.54) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6286718 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC2HDAC4
Trifluoroacetic Acid SCHEMBL6290995 0.84 HDAC1 (0.54) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6287588 0.84 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL7034718 0.83 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC2HDAC4
Trifluoroacetic Acid SCHEMBL6290396 0.83 HDAC1 (0.55) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL7040125 0.82 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC4

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 3488/4885HDAC8 4710/4885HDAC3 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.