SCHEMBL2969428

SCHEMBL2969428

CCCCCC1=Cc2cc(Br)ccc2C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
POLB P06746 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL2971444 0.98 TRPA1 (0.34) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2974541 0.98 TRPA1 (0.34) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2974889 0.98 TRPA1 (0.34) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2970635 0.98 TRPA1 (0.34) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2969538 0.98 TRPA1 (0.34) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2964973 0.95 TRPA1 (0.36) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2974941 0.89 TRPA1 (0.37) TRPA1ADRA2APNMTADRA2BADRA2C
SCHEMBL2964529 0.88 ADRA2A (0.33) ADRA2APNMTADRA2BADRA2CPOLB
SCHEMBL2970408 0.86 CYP1A2 (0.33) ADRA2APNMTADRA2BADRA2CCYP1A2
SCHEMBL2960660 0.86 CYP1A2 (0.33) ADRA2APNMTADRA2BADRA2CCYP1A2

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 TRPA1 438/4885ADRA2A 2587/4885PNMT 2021/4885

“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.