SCHEMBL1041640

SCHEMBL1041640

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
CRHR1 P34998 10/20 0.40
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
PDK2 Q15119 1/20 0.33
TERT O14746 1/20 0.33
APP P05067 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.32
SOS1 Q07889 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL1039757 0.86 AR (0.42) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL1043335 0.82 AR (0.42) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL1038528 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10TSHRTERT
SCHEMBL1536726 0.76 AR (0.45) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL13990192 0.75 TSHR (0.48) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL18517389 0.73 AR (0.46) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL13763445 0.73 CRHR1 (0.48) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL1042815 0.73 ACHE (0.34)
SCHEMBL1040238 0.73 AR (0.43) ARCRHR1ALDH1A1ALOX15HSD17B10
SCHEMBL5451177 0.72 AR (0.45) ARCRHR1ALDH1A1ALOX15HSD17B10

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 1364/4885CRHR1 1447/4885ALDH1A1 4017/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 AR 1364/4885CRHR1 1447/4885ALDH1A1 4017/4885

“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.