SCHEMBL2741245

SCHEMBL2741245

CNc1cc(C)c(O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
G6PD P11413 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR6 P51684 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 3/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL20160730 0.84 ESR1 (0.35) ALDH1A1KDM4EMAPTCYP1A2HPGD
SCHEMBL19198529 0.78 CYP3A4 (0.36) CYP1A2CYP3A4MAPK1CYP2C19ESR1
SCHEMBL70123 0.78 MAPT (0.75) ALDH1A1PKMKDM4EMAPTCYP1A2
SCHEMBL2741246 0.76 ALOX15 (0.54) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
Dimethylamine SCHEMBL4467419 0.76 ALDH1A1 (0.57) ALDH1A1PKMKDM4EMAPTCYP1A2
SCHEMBL3240550 0.75 ALDH1A1 (0.44) ALDH1A1PKMKDM4EMAPTCYP1A2
SCHEMBL4695941 0.75 POLB (0.57) ALDH1A1PKMKDM4EMAPTCYP1A2
SCHEMBL18870880 0.73 ALDH1A1 (0.43) ALDH1A1PKMKDM4EMAPTCYP1A2
SCHEMBL5888424 0.73 POLB (0.56) ALDH1A1PKMKDM4EMAPTCYP1A2
SCHEMBL3240546 0.73 ALDH1A1 (0.43) ALDH1A1PKMKDM4EMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523060-B2 Lubricant oil compositions POLNOX CORPORATION (US) 2016-12-20 US disclosed
US-20150159109-A1 Lubricant Oil Compositions POLNOX CORPORATION 2015-06-11 US disclosed
US-8927472-B2 Lubricant oil compositions POLNOX CORPORATION (US) 2015-01-06 US disclosed
US-20130130955-A1 LUBRICANT OIL COMPOSITIONS POLNOX CORPORATION (US) 2013-05-23 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20120004150-A1 Lubricant Oil Compositions POLNOX CORPORATION 2012-01-05 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7799808-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-09-21 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 ALDH1A1 2224/4885PKM 2629/4885KDM4E 4092/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 ALDH1A1 2224/4885PKM 2629/4885KDM4E 4092/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM ALDH1A1 2013/4885PKM 40/4885KDM4E 3526/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 ALDH1A1 1789/4885PKM 2136/4885KDM4E 1424/4885

“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.