SCHEMBL2966774

SCHEMBL2966774

CC1=CC(c2ccccc2)c2c(Br)cccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HTR2B P41595 1/20 0.33
KIF11 P52732 1/20 0.31
GID4 Q8IVV7 1/20 0.31
CYP19A1 P11511 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 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
SCHEMBL2963793 0.82 SLC6A4 (0.38) HTR2BMAOAMAOBMEN1KMT2A
SCHEMBL2970899 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAOAMAOB
SCHEMBL2975049 0.76 KDM4E (0.38) ALDH1A1MAPK1MAPTMAOAMAOB
SCHEMBL2971613 0.74 ALDH1A1 (0.33) ALDH1A1MAPK1MAOAMAOB
SCHEMBL2973832 0.72 GID4 (0.37) ALDH1A1GID4
SCHEMBL2976884 0.72 CYSLTR2 (0.34) CYP3A4
SCHEMBL8436669 0.72 ALDH1A1 (0.37) ALDH1A1MAPK1LMNATP53CYP1A2
SCHEMBL2962283 0.71 MAPK1 (0.39) ALDH1A1MAPK1CYP1A2HTR2BCYP19A1
SCHEMBL27499469 0.69 CYP19A1 (0.34) CYP1A2MAPTCYP19A1MEN1KMT2A
SCHEMBL2972578 0.68

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 ALDH1A1 4332/4885MAPK1 3118/4885LMNA 2058/4885

“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.