SCHEMBL2964449

SCHEMBL2964449

CCCCCCCCCCC1=CCc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PTPN1 P18031 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
GPR3 P46089 1/20 0.33
HTR7 P34969 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 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
SCHEMBL2959807 1.00 NPC1 (0.35) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2972942 1.00 NPC1 (0.35) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2962611 1.00 NPC1 (0.35) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2964016 1.00 NPC1 (0.35) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2958345 0.98 SMN1; SMN2 (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2963953 0.94 NPC1 (0.40) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2960248 0.88 HTR7 (0.41) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2973818 0.88 HTR7 (0.41) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2960916 0.88 HTR7 (0.41) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2973111 0.88 HTR7 (0.41) NPC1GAANFKB1RAB9ANFKB2

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 NPC1 4083/4885GAA 4439/4885NFKB1 1786/4885

“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.