SCHEMBL6814719

SCHEMBL6814719

CC1=CC(=O)CC(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
THRB P10828 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 8/20 0.35
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
IDO1 P14902 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 3/20 0.33
RAB9A P51151 2/20 0.33
HIF1A Q16665 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CES2 O00748 1/20 0.33
GMNN O75496 1/20 0.33
TDP2 O95551 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL12519883 0.74 LMNA (0.37) KMT2AMEN1THRBGAAALDH1A1
SCHEMBL18742846 0.73
SCHEMBL13647772 0.73 ACHE (0.37) KMT2AMEN1THRBGAAALDH1A1
SCHEMBL7529638 0.72 ALDH1A1 (0.33) KMT2AMEN1THRBGAAALDH1A1
SCHEMBL7529634 0.72 MEN1 (0.34) KMT2AMEN1THRBGAAALDH1A1
SCHEMBL12445270 0.72 ALDH1A1 (0.32) KMT2AMEN1THRBGAAALDH1A1
SCHEMBL15478105 0.71 ALDH1A1 (0.38) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL2113918 0.71 HCAR2 (0.45) CYP1A2
SCHEMBL986535 0.70 ALDH1A1 (0.40) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL4698495 0.68 MEN1 (0.42) KMT2AMEN1GAANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441249-B2 ACID CATALYSIS OF ISOPHERONE, DISTILLATION, OXIDATION IN AMORPHOUS CARBON AND BASE FORMING 4-OXOISOPHORONE WHICH REACTS WITH ACID ANHYDRIDE/CARBOXYLIC ACID TO FORM COMPOUND HYDROLYZED TO TRIMETHYLHYDROQUINONE; EFFICIENCY; VITAMIN E NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 2002-08-27 US claimed
US-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
WO-2011069149-A2 CATHEPSIN S INHIBITORS DCB-USA LLC (US) 2011-06-09 WO disclosed
US-20070232811-A1 STERICALLY HINDERED PI-BRIDGE NONLINEAR OPTICAL CHROMOPHORES, PROCESSES INCLUDING SAME, AND DEVICES THEREFROM LUMERA CORPORATION (US) 2007-10-04 US disclosed
US-7206111-B2 Sterically hindered PI-bridge nonlinear optical chromophores, processes including same, and devices therefrom LUMERA CORPORATION (US) 2007-04-17 US disclosed
EP-1760080-A1 Design and synthesis of thiophene derived NLO materials for electro-optic applications Lumera Corporation (US) 2007-03-07 EP disclosed
US-6680132-B2 Red organic electroluminescent devices EASTMAN KODAK COMPANY 2004-01-20 US disclosed
US-20030203234-A1 Red organic electroluminescent devices EASTMAN KODAK COMPANY 2003-10-30 US disclosed
EP-1351322-A1 Red organic electroluminescent devices EASTMAN KODAK COMPANY (US) 2003-10-08 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 (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-20070232811-A1 STERICALLY HINDERED PI-BRIDGE NONLINEAR OPTICAL CHROMOPHORES, PROCESSES INCLUDING SAME, AND DEVICES THEREFROM FARS2, ETFA, ETFB KMT2A 4334/4885MEN1 4594/4885THRB 4881/4885

“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.