SCHEMBL2973646

SCHEMBL2973646

CCCCC1=CCc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
NQO2 P16083 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
NPC1 O15118 2/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
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

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
SCHEMBL2970229 0.95 HTR7 (0.42) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL2973111 0.94 HTR7 (0.41) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL2973818 0.94 HTR7 (0.41) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL2960916 0.94 HTR7 (0.41) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL2969799 0.94 HTR7 (0.41) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL2960248 0.94 HTR7 (0.41) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL2963718 0.90 HTR7 (0.45) HTR7NQO2MTNR1AMTNR1BADRA2A
SCHEMBL2963953 0.87 NPC1 (0.40) HTR7NQO2MTNR1AMTNR1BNPC1
SCHEMBL1612734 0.83 HTR7 (0.41) HTR7NQO2MTNR1AMTNR1BADRA2A
SCHEMBL2958345 0.83 SMN1; SMN2 (0.36) HTR7NPC1NFKB1RAB9ANFKB2

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 HTR7 2417/4885NQO2 4874/4885MTNR1A 3719/4885

“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.