SCHEMBL2852255

SCHEMBL2852255

CCOC(=O)C(=O)C(C)C(=O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.45
CES2 O00748 1/20 0.44

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
SCHEMBL2858714 0.83 MAPT (0.49) ALDH1A1TDP1CYP1A2CES2CES1
SCHEMBL2117704 0.83 KMT2A (0.49) ALDH1A1TDP1CA1CA2CA12
SCHEMBL277081 0.83 SMN1; SMN2 (0.48) ALDH1A1TDP1CA1CA2CA12
SCHEMBL2775303 0.83 USP2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2775301 0.83 USP2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1741190 0.83 ALDH1A1 (0.53) ALDH1A1CA1CA2CA12CA9
SCHEMBL4800700 0.82 SMN1; SMN2 (0.47) ALDH1A1TDP1CA1CA2CA12
SCHEMBL14346527 0.81 CA12 (0.36) ALDH1A1TDP1CA1CA2CA12
SCHEMBL16883572 0.80 KMT2A (0.43) ALDH1A1CYP1A2HTTLMNAL3MBTL1
SCHEMBL5217024 0.80 CES2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 US disclosed
US-20080146614-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1831177-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067443-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2006-06-29 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-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 HDAC3 792/4885HDAC4 791/4885HDAC1 734/4885
US-20080146614-A1 Therapeutic Agents BDNF, NLN, GRIN2C HDAC3 157/4885HDAC4 532/4885HDAC1 181/4885

“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.