SCHEMBL5572030

SCHEMBL5572030

COC(=O)COc1c2cccc1Cc1cc(-c3cccc(NC(=O)CCN)c3)cc(c1O)Cc1cccc(c1OCC(=O)OC)Cc1cc(-c3cccc(N)c3)cc(c1O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.39
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ GSTA1 P08263 5/20 0.37
▸ GSTP1 P09211 5/20 0.37
▸ LGALS1 P09382 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5574627 0.89 GSTA1 (0.44) GSTA1GSTP1LGALS1MEN1KMT2A
SCHEMBL5570767 0.88 GSTA1 (0.45) GSTA1GSTP1LGALS1MEN1KMT2A
SCHEMBL5574629 0.74 ALDH1A1 (0.47) GSTA1GSTP1POLBMEN1KMT2A
SCHEMBL8409096 0.73 HDAC6 (0.61) MAP4K4HDAC1HDAC6HDAC3HDAC4
SCHEMBL3908274 0.68 MEN1 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31415856 0.66 HDAC8 (0.72) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6160247 0.65 ALDH1A1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL8410796 0.64 HDAC6 (0.68) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL15650429 0.63 HDAC1 (0.75) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL11302253 0.63 SMN1; SMN2 (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7

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-20070027075-A1 Compositions and methods for targeted drug delivery UNIVERSITY OF CINCINNATI 2007-02-01 — — US disclosed
WO-2005004795-A2 COMPOSITIONS AND METHODS FOR TARGETED DRUG DELIVERY UNIVERSITY OF CINCINNATI (US) 2005-01-20 — — 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-20070027075-A1 Compositions and methods for targeted drug delivery SLC47A1, SLC47A2, SLC46A1 MAP4K4 4064/4885HDAC1 4791/4885HDAC6 3570/4885

“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.

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