SCHEMBL1662928

SCHEMBL1662928

CN(C)c1cc(C=O)cc(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
CYP2A13 Q16696 1/20 0.58
ALDH1A1 P00352 4/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
TSHR P16473 3/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APP P05067 2/20 0.34
HSD17B3 P37058 1/20 0.34
RELA Q04206 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL7284916 0.95 CYP2A6 (0.58) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL29954356 0.84 PTGS1 (0.48) CYP2A6CYP2A13ALDH1A1TSHRAPP
SCHEMBL5202353 0.84 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL14291516 0.80 CYP2A6 (0.44) CYP2A6CYP2A13TSHR
SCHEMBL1764812 0.80 CYP2A6 (0.44) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL6815808 0.80 CYP2A6 (0.44) CYP2A6CYP2A13ALDH1A1LMNA
SCHEMBL12555616 0.80 CYP2A6 (0.44) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL10364555 0.78 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1RELAMAPK1
SCHEMBL28801518 0.77 CYP2A6 (0.41) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL29740784 0.77 CYP2A6 (0.56) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3

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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CYP2A6 4210/4885CYP2A13 4533/4885ALDH1A1 3228/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CYP2A6 4594/4885CYP2A13 4815/4885ALDH1A1 2736/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CYP2A6 4594/4885CYP2A13 4815/4885ALDH1A1 2736/4885

“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.