SCHEMBL2959617

SCHEMBL2959617

CC1=CC(c2ccc(C)cc2)c2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP19A1 P11511 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2966774 0.88 ALDH1A1 (0.35) MEN1KMT2ANPC1CYP19A1TP53
SCHEMBL2963793 0.80 SLC6A4 (0.38) MEN1KMT2A
SCHEMBL2967848 0.79 MAOA (0.32) ALDH1A1
SCHEMBL2970899 0.75 ALDH1A1 (0.39) TNKS2ALDH1A1
SCHEMBL2971613 0.73 ALDH1A1 (0.33) MAPK1ALDH1A1
SCHEMBL2975049 0.72 KDM4E (0.38) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL2976884 0.68 CYSLTR2 (0.34)
SCHEMBL2972578 0.67
SCHEMBL2976114 0.67 NPC1 (0.40) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL2963093 0.67 ALDH1A1 (0.39) MEN1KMT2AMAPK1ALDH1A1

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 MEN1 750/4885KMT2A 1517/4885NPC1 4083/4885

“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.