SCHEMBL2967550

SCHEMBL2967550

CCCC1=CCc2cc(Br)cc(-c3ccccc3)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MAOB P27338 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
SCHEMBL2964197 0.80 AKR1C3 (0.35) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL2970578 0.79 ALDH1A1 (0.30)
SCHEMBL2970503 0.79 CRHBP (0.38) AKR1C3AKR1C2AKR1C1
SCHEMBL2963377 0.78 AKR1C3 (0.37) AKR1C3AKR1C2AKR1C1PTGDR2MAOB
SCHEMBL2969344 0.76 HTR7 (0.34) ADORA3ADORA2AADORA1MAOB
SCHEMBL2967917 0.76 HTR7 (0.34) ADORA3ADORA2AADORA1MAOB
SCHEMBL2969901 0.74 KDM4E (0.31)
SCHEMBL2965655 0.73 ANPEP (0.34)
SCHEMBL2975742 0.71 PNMT (0.38)
SCHEMBL2963718 0.71 HTR7 (0.45)

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 AKR1C3 3611/4885AKR1C2 3868/4885AKR1C1 4022/4885

“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.