SCHEMBL2968029

SCHEMBL2968029

CCCCc1ccc(C2=CC(C)c3ccc(Br)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
NFKB1 P19838 3/20 0.42
RAB9A P51151 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
RARB P10826 1/20 0.36
EIF4A1 P60842 2/20 0.36
SKP2 Q13309 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL2970027 0.89 NPC1 (0.43) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2968026 0.79 CYP1A2 (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2966197 0.78 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL2973762 0.76 MAPK1 (0.40) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2958517 0.76 HSD11B1 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2972370 0.76 HSD11B1 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2973699 0.72 NPC1 (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2974124 0.72 NPC1 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2050263 0.72 NPC1 (0.64) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2971776 0.71 NPC1 (0.37) NPC1NFKB1RAB9ANFKB2RELA

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 2 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

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 4083/4885NFKB1 1786/4885RAB9A 1848/4885

“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.