SCHEMBL1040705

SCHEMBL1040705

CN(C)c1ccc(C(F)(F)F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
NOTUM Q6P988 1/20 0.45
CRHR1 P34998 7/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
TERT O14746 1/20 0.36
APP P05067 1/20 0.36
PDK2 Q15119 1/20 0.36
GAA P10253 1/20 0.34
SLC2A1 P11166 1/20 0.33
AURKA O14965 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
SCHEMBL1536726 0.84 AR (0.45) ARNOTUMCRHR1ALDH1A1ALOX15
SCHEMBL24687543 0.78 AR (0.46) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL26020164 0.76 AR (0.45) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL22897745 0.76 AR (0.45) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL1039397 0.76 AR (0.45) ARNOTUMCRHR1ALDH1A1ALOX15
SCHEMBL15934283 0.76 AR (0.45) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL1039757 0.76 AR (0.42) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL13990192 0.75 TSHR (0.48) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL18517389 0.73 AR (0.46) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL13763445 0.73 CRHR1 (0.48) ARNOTUMCRHR1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 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 (2 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 AR 1364/4885NOTUM 4325/4885CRHR1 1447/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 AR 1364/4885NOTUM 4325/4885CRHR1 1447/4885

“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.