SCHEMBL4918905

SCHEMBL4918905

CN(C)c1ccccc1.[LiH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
TSHR P16473 5/20 0.62
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 2/20 0.62
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
RELA Q04206 1/20 0.56
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 3/20 0.50
CHKA P35790 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GFER P55789 1/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
CHRM5 P08912 1/20 0.48

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
SCHEMBL8277 0.97
SCHEMBL21208167 0.97 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL10557768 0.97 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL7879117 0.97
SCHEMBL16187039 0.97
SCHEMBL7983815 0.93 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Bromide SCHEMBL252099 0.93 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Water SCHEMBL6758084 0.93 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Trimethylammonium SCHEMBL2531877 0.93 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL17046164 0.93 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101585781-B Preparing method of N, N-dimethylbenzamide BEIJING YINGTAIJIAHE TECHNOLOGY CO LTD 2012-08-08 CN disclosed
US-20080132661-A1 Catalyst System for the Polymerization of Olefins BASELL POLYOLEFINE GMBH (DE) 2008-06-05 US disclosed
CN-1861255-A N-N double teeth ligand, three-coordination monovalence nickel olefin polymerization catalyst, and its prepn. method UNIV FUDAN (CN) 2006-11-15 CN disclosed
EP-1599514-A2 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS Basell Polyolefine GmbH (DE) 2005-11-30 EP disclosed
WO-2004078804-A2 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-09-16 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 (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-20080132661-A1 Catalyst System for the Polymerization of Olefins DRD1, RER1, CHRM1 ALDH1A1 678/4885TSHR 573/4885HSD17B10 2668/4885

“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.