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SCHEMBL1754081

SCHEMBL1754081

CC(C)(C)OC(=O)c1ccc(C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.59
▸ HDAC3 O15379 3/20 0.52
▸ HDAC2 Q92769 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ STAT3 P40763 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 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
SCHEMBL2687096 0.81 HDAC1 (0.46) HDAC1HDAC3HDAC2ALDH1A1L3MBTL1
SCHEMBL2687226 0.81 HDAC3 (0.46) HDAC1HDAC3HDAC2ALDH1A1L3MBTL1
SCHEMBL1753682 0.81 HDAC1 (0.63) HDAC1HDAC3HDAC2
SCHEMBL2109953 0.79 CA12 (0.47) ALDH1A1MAPTSTAT3ABCG2
SCHEMBL1753888 0.79 HDAC1 (0.73) HDAC1HDAC3HDAC2ALDH1A1GAA
Hydrochloric Acid SCHEMBL14775923 0.78 ALDH1A1 (0.46) HDAC1HDAC3HDAC2ALDH1A1L3MBTL1
SCHEMBL14842551 0.77 POLB (0.70) HDAC1HDAC3HDAC2ALDH1A1GAA
SCHEMBL23486541 0.76 RAB9A (0.62) ALDH1A1L3MBTL1GAAMAPTSMN1; SMN2
SCHEMBL23152199 0.76 KDM4E (0.47) ALDH1A1L3MBTL1GAAMAPTKMT2A
SCHEMBL23152190 0.76 KDM4E (0.47) ALDH1A1L3MBTL1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 — — EP disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 HDAC1 6/4885HDAC3 17/4885HDAC2 42/4885

“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.