SCHEMBL2957244

SCHEMBL2957244

CCCCc1ccccc1C1=C(C)Cc2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK2 O96017 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
LTK P29376 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
AURKB Q96GD4 1/20 0.33
PBK Q96KB5 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
MC4R P32245 6/20 0.33
HSD17B3 P37058 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 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
SCHEMBL2974436 0.92 HSD17B3 (0.35) TDP1L3MBTL1MC4RHSD17B3NPC1
SCHEMBL2957246 0.78 NPC1 (0.41) L3MBTL1CHEK2ROS1MARK3LTK
SCHEMBL2960601 0.77 ELANE (0.32) NR1H2NR1H3LIPG
SCHEMBL2971538 0.76 BCHE (0.33) NR1H2NR1H3TYRLIPG
SCHEMBL2970474 0.73 TDP1 (0.39) TDP1L3MBTL1CHEK2ROS1MARK3
SCHEMBL2970226 0.73 TDP1 (0.38) TDP1L3MBTL1CHEK2ROS1MARK3
SCHEMBL2972164 0.72 TDP1 (0.36) TDP1L3MBTL1CHEK2ROS1MARK3
SCHEMBL2962115 0.72 NR1H2 (0.32) NR1H2NR1H3TYRLIPG
SCHEMBL17616719 0.71 SCN1A (0.39) TDP1L3MBTL1CHEK2ROS1MARK3
SCHEMBL2974440 0.70 NPC1 (0.42) L3MBTL1NPC1GAANFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TDP1 4183/4885L3MBTL1 258/4885CHEK2 3533/4885

“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.