SCHEMBL6040918

SCHEMBL6040918

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.47
RORC P51449 1/20 0.46
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL8447291 0.86 CA1 (0.58) CNR2MAPTHPGDRAB9AKMT2A
SCHEMBL27980232 0.85 CNR2 (0.48) CNR2RORCF2F10PLG
SCHEMBL27625366 0.85 PARP10 (0.50) CNR2RORCF2F10PLG
SCHEMBL6279399 0.84 CNR2 (0.58) CNR2RORCF2F10PLG
SCHEMBL4115523 0.82 CNR2 (0.53) CNR2RORCHPGDKMT2ACYP3A4
SCHEMBL24172235 0.82 GSK3B (0.51) CNR2RORCF2F10PLG
SCHEMBL28471067 0.82 EPHX2 (0.40) EPHX2NR1H4MAPTHPGDRAB9A
SCHEMBL12003891 0.81 MAOB (0.47) MAPTHPGDRAB9AKMT2AMAOB
SCHEMBL9211 0.81 ALDH1A1 (0.49) CNR2RORCMAPTHPGDKMT2A
SCHEMBL8434856 0.81 RORC (0.53) CNR2RORCF2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION AMR TECHNOLOGY, INC. (US) 2008-09-18 US disclosed
US-7390906-B2 Forming ketone intermediates to terfenadine carboxylic acid metabolite; by use of pure regioisomer of 4-(Cyclopropyl-oxo-methyl)-alpha,alpha-dimethylphenylacetic acid AMR TECHNOLOGY, INC. (US) 2008-06-24 US disclosed
US-7238834-B2 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2007-07-03 US disclosed
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
CN-1596240-A Chalcone derivatives and their use for the treatment of diseases ATHEROGENICS INC (US) 2005-03-16 CN disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 CNR2 2596/4885RORC 154/4885F2 2440/4885
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION HRH4, DRD4, H1-4 CNR2 343/4885RORC 3062/4885F2 2467/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CNR2 2516/4885RORC 224/4885F2 2269/4885

“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.