SCHEMBL2966932

SCHEMBL2966932

Brc1cccc2c1CC=C2c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
GRM1 Q13255 4/20 0.42
CDK5 Q00535 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
LTK P29376 1/20 0.39
MST1R Q04912 1/20 0.39
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
ROCK1 Q13464 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
SCHEMBL2964652 0.75 KDM4E (0.35) GRM5GRM1CDK5DYRK1ACLK4
SCHEMBL2971959 0.75 PIM1 (0.32) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL2960939 0.74 MAPK1 (0.48) CDK5DYRK1ACLK4MAPTL3MBTL1
SCHEMBL2964041 0.70 CYP3A4 (0.38) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL2973403 0.70 KMT2A (0.38) LTKMAPTKDM4ETDP1MEN1
SCHEMBL30966574 0.69 LTA4H (0.47) CDK5DYRK1ACLK4LTKMST1R
SCHEMBL1310723 0.69 LTA4H (0.47) CDK5DYRK1ACLK4LTKMST1R
SCHEMBL2967129 0.69 PIK3R1 (0.37) CDK5DYRK1ACLK4MAPTKDM4E
SCHEMBL2964290 0.69 PTPN1 (0.39) CDK5DYRK1ACLK4KDM4ETDP1
SCHEMBL1334679 0.68 LTK (0.41) GRM5GRM1CDK5DYRK1ACLK4

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 GRM5 359/4885GRM1 354/4885CDK5 2133/4885

“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.