SCHEMBL172117

SCHEMBL172117

CC(C)CCOc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.58
ALDH1A1 P00352 4/20 0.57
TLR8 Q9NR97 1/20 0.54
MCHR1 Q99705 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
IDO1 P14902 1/20 0.48
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
APP P05067 1/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11844469 0.91 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19HTTALDH1A1
1,2-Diisopentoxybenzene SCHEMBL2843498 0.86 HTT (0.62) HTTALDH1A1TLR8MCHR1TDP1
SCHEMBL21104793 0.85 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL21104226 0.85 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL20021062 0.84 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL294796 0.82 MCHR1 (0.52) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL29708563 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL864648 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL110055 0.80 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1TLR8
SCHEMBL18217408 0.79 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063987-A4 DIETARY CONTROL OF ARACHIDONIC ACID METABOLISM UNIV WAKE FOREST (US) 2005-01-12 EP claimed
WO-2003063793-A2 FATTY ACID-CONTAINING COMPOSITIONS AND METHODS FOR THE TREATMENT OF CYTOKINE MEDIATED DISORDERS PILOT THERAPEUTICS, INC. (US) 2003-08-07 WO claimed
EP-1063987-A1 DIETARY CONTROL OF ARACHIDONIC ACID METABOLISM WAKE FOREST UNIVERSITY (US) 2001-01-03 EP claimed
WO-1999042101-A1 DIETARY CONTROL OF ARACHIDONIC ACID METABOLISM WAKE FOREST UNIVERSITY (US) 1999-08-26 WO claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP1A2 3832/4885CYP2C9 3823/4885CYP2C19 2941/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP1A2 3832/4885CYP2C9 3823/4885CYP2C19 2941/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK CYP1A2 3832/4885CYP2C9 3823/4885CYP2C19 2941/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 CYP1A2 4700/4885CYP2C9 4631/4885CYP2C19 4548/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP1A2 3709/4885CYP2C9 3714/4885CYP2C19 2888/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP1A2 3709/4885CYP2C9 3714/4885CYP2C19 2888/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 CYP1A2 4604/4885CYP2C9 3873/4885CYP2C19 3637/4885

“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.