SCHEMBL278995

SCHEMBL278995

CC(C)(O)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
NR4A2 P43354 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXRG P48443 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MAOB P27338 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3670889 1.00 ALDH1A1 (0.46) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3682176 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3729865 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3669491 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3674933 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3671829 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3674901 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL5569738 0.91 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL5613832 0.89 ALDH1A1 (0.39) ALDH1A1RXRARXRBNR4A2HDAC4
SCHEMBL3671428 0.88 L3MBTL1 (0.44) ALDH1A1RXRARXRBNR4A2RXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
EP-2557072-B1 PARA- OR MESO-FUNCTIONALIZED AROMATIC KETONE COMPOUNDS, PREPARATION METHODS THEREOF, AND PHOTOPOLYMERIZATION INITIATORS COMPRISING THE SAME SHENZHEN UV-CHEMTECH CO LTD (CN) 2017-09-20 EP disclosed
EP-2604663-B1 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-09 EP disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed
US-9416287-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-08-16 US disclosed
US-9416287-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-08-16 US disclosed
US-9249321-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-02-02 US disclosed
US-9249321-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-02-02 US disclosed
US-20090018354-A1 PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-01-15 US disclosed
US-20090018354-A1 PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-01-15 US disclosed
EP-1930309-A2 Preparation of alpha-hydroxyketones Ciba Holding Inc. (CH) 2008-06-11 EP disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1813608-A2 PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES Ciba Specialty Chemicals Holding Inc. (CH) 2007-08-01 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 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-20090018354-A1 PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES BCKDK, OGDH, KHK ALDH1A1 188/4885RXRA 2368/4885RXRB 2252/4885

“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.