SCHEMBL3816907

SCHEMBL3816907

CC(C)C(C(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.76
▸ HDAC3 O15379 8/20 0.76
▸ HDAC8 Q9BY41 6/20 0.76
▸ HDAC4 P56524 5/20 0.76
▸ HDAC6 Q9UBN7 5/20 0.76
▸ HDAC2 Q92769 4/20 0.76
▸ HDAC7 Q8WUI4 3/20 0.76
▸ HDAC10 Q969S8 3/20 0.76
▸ HDAC11 Q96DB2 3/20 0.76
▸ HDAC9 Q9UKV0 3/20 0.76
▸ HDAC5 Q9UQL6 3/20 0.76
▸ NCOR2 Q9Y618 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL10343708 0.89 HDAC1 (0.72) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL12681975 0.89 HDAC1 (0.72) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL28317430 0.88 HDAC1 (0.72) HDAC1HDAC3HDAC8HDAC4HDAC6
Ar-42 SCHEMBL31140841 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC4HDAC6
Ar-42 SCHEMBL675409 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL676825 0.87 HDAC1 (0.80) HDAC1HDAC3HDAC8HDAC4HDAC6
Ar-42 SCHEMBL2348844 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL27357989 0.86 HDAC1 (0.69) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL23306975 0.82 HDAC1 (0.57) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL7657652 0.80 POLB (0.76) HDAC1HDAC3HDAC8HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696898-B1 ZN 2+ -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2015-11-18 — — EP disclosed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 — — US disclosed
US-8318808-B2 Zn2+chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-27 — — US disclosed
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-28 — — US disclosed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 — — US disclosed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 — — EP disclosed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 — — 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 (2 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-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 HDAC1 1/4885HDAC3 6/4885HDAC8 14/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC8 9/4885

“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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