SCHEMBL14434585

SCHEMBL14434585

C=CC(=O)OCC[S+]([O-])c1ccc2c3c(cccc13)C(=O)N(CCCCCC)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 10/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ NCOR2 Q9Y618 3/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL13751088 0.95 CDC25A (0.41) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL13758333 0.85 MAPK1 (0.42) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL14434588 0.81 HDAC1 (0.45) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL14434564 0.81 HDAC1 (0.45) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL14434583 0.81 MEN1 (0.44) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL16118001 0.79 TSHR (0.50) CDC25AMEN1RGS12HTTKMT2A
SCHEMBL13751087 0.79 HDAC1 (0.42) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL14434658 0.79 MAPT (0.64) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL13751092 0.78 HDAC1 (0.41) CDC25AHDAC1HDAC6HDAC3HDAC11
SCHEMBL14434587 0.78 MAPK1 (0.48) HDAC1HDAC6HDAC3HDAC11HDAC8

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-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof LUUKAS TIMO 2007-08-16 — — US disclosed
US-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof LUUKAS TIMO 2007-08-16 — — 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-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof KRT18, MITF, CUTA CDC25A 1318/4885HDAC1 807/4885HDAC6 543/4885

“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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