SCHEMBL1694652

SCHEMBL1694652

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.57
HDAC4 P56524 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
KMT2A Q03164 4/20 0.55
POLB P06746 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.54
APEX1 P27695 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 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
SCHEMBL9350687 0.98 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3365857 0.86 KMT2A (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2911004 0.85 ALDH1A1 (0.58) KMT2APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL9208969 0.83 ALDH1A1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12020298 0.83 ESR1 (0.58) KMT2APOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL314216 0.83 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19545100 0.83 ERCC5 (0.68) HDAC3KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL25011313 0.82 ALDH1A1 (0.56) KMT2APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL1694519 0.82 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2916273 0.82 ALDH1A1 (0.56) KMT2APOLBALDH1A1SMN1; SMN2LMNA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417334-A Azole derivative containing isoxazole structure, and preparation method and application thereof 沈阳药科大学 2024-01-19 CN disclosed
EP-2755962-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2017-03-01 EP disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed
US-5420275-A Chemiluminescent assay, tumors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
EP-0491477-A1 Pyridopyridazine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1992-06-24 EP 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 (4 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG HDAC3 43/4885HDAC4 669/4885HDAC1 336/4885
US-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 HDAC3 216/4885HDAC4 201/4885HDAC1 17/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC HDAC3 114/4885HDAC4 1380/4885HDAC1 835/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 HDAC3 1740/4885HDAC4 2531/4885HDAC1 871/4885

“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.