SCHEMBL2970658

SCHEMBL2970658

Brc1cccc2c1CC(c1ccco1)=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.36
PIK3CA P42336 4/20 0.36
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 4/20 0.32
MAPT P10636 4/20 0.32
HSD17B10 Q99714 4/20 0.32
POLB P06746 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 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
SCHEMBL2963950 0.75 TRPA1 (0.33) TRPA1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL2973446 0.74 PIK3R1 (0.36) PIK3R1PIK3CAKDM4EMAPTHSD17B10
SCHEMBL7173954 0.73 CYP11B2 (0.44) KDM4EMAPTHSD17B10POLBALDH1A1
SCHEMBL2973787 0.73 TRPA1 (0.41) TRPA1ALDH1A1
SCHEMBL2964034 0.70 PIK3R1 (0.42) PIK3R1PIK3CAKDM4EMAPTHSD17B10
SCHEMBL2958175 0.70 PIK3R1 (0.42) PIK3R1PIK3CATRPA1KDM4EMAPT
SCHEMBL5950996 0.69 TRPA1 (0.43) TRPA1
SCHEMBL2974362 0.68 GRM5 (0.37) TRPA1KDM4EMAPTALDH1A1KMT2A
SCHEMBL2960350 0.67 TRPA1 (0.42) TRPA1
SCHEMBL2971419 0.67 SLC6A3 (0.38) TRPA1KDM4EMAPTPOLBKMT2A

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 PIK3R1 4861/4885PIK3CA 4295/4885TRPA1 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.