SCHEMBL2969601

SCHEMBL2969601

CC1=C(c2ccc(C)cc2)c2cccc(Br)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
PIM1 P11309 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK5 Q00535 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 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
SCHEMBL2972021 0.88 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL2971540 0.80 HSD11B1 (0.39) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL2966003 0.78 PIM1 (0.33) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2973423 0.77 ALDH1A1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2973226 0.74 PIM1 (0.40) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2963720 0.74 ALDH1A1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2960711 0.73 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL2971538 0.69 BCHE (0.33) CYP2D6CYP2C9TYR
SCHEMBL14501027 0.69 PIM1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL17287859 0.69 CDK5 (0.48) NPC1RAB9AMAPK1POLBPIM1

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 4083/4885RAB9A 1848/4885SMN1; SMN2 4156/4885

“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.