SCHEMBL2974362

SCHEMBL2974362

Brc1cccc2c1CC(c1cccs1)=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
TRPA1 O75762 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
LTK P29376 1/20 0.33
CDK5 Q00535 1/20 0.33
MST1R Q04912 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
LTA4H P09960 1/20 0.32
MAPK1 P28482 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
SCHEMBL2968310 0.75 TRPA1 (0.36) TRPA1
SCHEMBL2968956 0.74 LTA4H (0.35) GRM5GRM1MAPTALDH1A1L3MBTL1
SCHEMBL7172908 0.73 CYP11B2 (0.44) TRPA1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2973787 0.73 TRPA1 (0.41) TRPA1ALDH1A1CDK5DYRK1ACLK4
SCHEMBL21291331 0.70 MAPT (0.35) MAPTALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL2973538 0.70 TRPA1 (0.41) TRPA1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2965031 0.70 KMT2A (0.35) TRPA1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL5950996 0.69 TRPA1 (0.43) TRPA1CDK5DYRK1ACLK4
SCHEMBL2970658 0.68 PIK3R1 (0.36) TRPA1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2971419 0.67 SLC6A3 (0.38) TRPA1MAPTKDM4EMEN1KMT2A

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 354/4885TRPA1 438/4885

“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.