SCHEMBL1043033

SCHEMBL1043033

CC(C)(C)c1cccc(C(F)(F)F)c1P(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
P2RX7 Q99572 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
PTPN5 P54829 1/20 0.31
PARP1 P09874 1/20 0.31
KIF11 P52732 2/20 0.31
AXL P30530 1/20 0.31
HSD11B1 P28845 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 1/20 0.30
NOTUM Q6P988 1/20 0.30
ALOX12 P18054 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL1042477 0.89 P2RX7 (0.38) CA2P2RX7ALDH1A1TDP1KIF11
SCHEMBL1039864 0.80 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1039876 0.80 CA2 (0.40) CA2P2RX7GABRA1GABRB2ALDH1A1
SCHEMBL1043225 0.80 P2RX7 (0.37) P2RX7GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1042535 0.76 P2RX7 (0.34) P2RX7PARP1AXLHSD11B1GRM2
SCHEMBL1536738 0.76 AR (0.40) CA2ALDH1A1TDP1TSHR
SCHEMBL1042602 0.76 ACP1 (0.36) P2RX7TDP1TSHRAXL
SCHEMBL1040725 0.74 SMN1; SMN2 (0.42) CA2ALDH1A1TSHRPOLBMEN1
SCHEMBL1042161 0.72 HSD11B1 (0.41) ALDH1A1KIF11HSD11B1CES1
SCHEMBL5699639 0.71 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1TDP1

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 CA2 1200/4885P2RX7 4420/4885GABRA1 4418/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CA2 1200/4885P2RX7 4420/4885GABRA1 4418/4885

“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.