SCHEMBL685508

SCHEMBL685508

OCCOP(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
KCNA3 P22001 1/20 0.38
GAA P10253 1/20 0.38
LTA4H P09960 2/20 0.36
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALOX15 P16050 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
IDO1 P14902 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL14354354 0.87 KCNA3 (0.44) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL6069169 0.83 ALDH1A1 (0.42) ALDH1A1RECQLGAA
SCHEMBL25813074 0.83 KCNA3 (0.46) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL28530483 0.83 ALDH1A1 (0.41) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL16822398 0.82 ALDH1A1 (0.52) ALDH1A1RECQLKCNA3GAALTA4H
SCHEMBL11775886 0.80 APP (0.34) ALDH1A1RECQL
SCHEMBL5599905 0.79 ALDH1A1 (0.48) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL1724774 0.79 LTA4H (0.42) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL685644 0.79 ALDH1A1 (0.48) ALDH1A1RECQLKCNA3GAALTA4H
Hydrogen Peroxide SCHEMBL28220640 0.77 LTA4H (0.47) ALDH1A1RECQLKCNA3LTA4HTAAR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN claimed
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN disclosed
US-9309167-B2 Process for oligomerization of olefins that uses a catalytic composition that comprises an organometallic complex that contains an alkoxy ligand that is functionalized by a heteroatom IFP Energies Nouvelles (FR) 2016-04-12 US disclosed
US-9309167-B2 Process for oligomerization of olefins that uses a catalytic composition that comprises an organometallic complex that contains an alkoxy ligand that is functionalized by a heteroatom IFP Energies Nouvelles (FR) 2016-04-12 US disclosed
US-8624042-B2 Process for dimerization of ethylene to but-1-ene using a composition comprising a titanium-based complex and an alkoxy ligand functionalized by a heteroatom IFP Energies Nouvelles (FR) 2014-01-07 US disclosed
US-8624042-B2 Process for dimerization of ethylene to but-1-ene using a composition comprising a titanium-based complex and an alkoxy ligand functionalized by a heteroatom IFP Energies Nouvelles (FR) 2014-01-07 US disclosed
US-20130217941-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS AN ALKOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM IFP Energies Nouvelles (FR) 2013-08-22 US disclosed
US-20130217941-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS AN ALKOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM IFP Energies Nouvelles (FR) 2013-08-22 US disclosed
US-20110288308-A1 PROCESS FOR DIMERIZATION OF ETHYLENE TO BUT-1-ENE USING A COMPOSITION COMPRISING A TITANIUM-BASED COMPLEX AND AN ALKOXY LIGAND FUNCTIONALIZED BY A HETEROATOM IFP Energies nouvelle (FR) 2011-11-24 US disclosed
US-20110288308-A1 PROCESS FOR DIMERIZATION OF ETHYLENE TO BUT-1-ENE USING A COMPOSITION COMPRISING A TITANIUM-BASED COMPLEX AND AN ALKOXY LIGAND FUNCTIONALIZED BY A HETEROATOM IFP Energies nouvelle (FR) 2011-11-24 US disclosed
US-20110287927-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS AN ALKOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM IFP Energies Nouvelles (FR) 2011-11-24 US disclosed
US-20110287927-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS AN ALKOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM IFP Energies Nouvelles (FR) 2011-11-24 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 (3 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-20110288308-A1 PROCESS FOR DIMERIZATION OF ETHYLENE TO BUT-1-ENE USING A COMPOSITION COMPRISING A TITANIUM-BASED COMPLEX AND AN ALKOXY LIGAND FUNCTIONALIZED BY A HETEROATOM AS3MT, ALK, AP2M1 ALDH1A1 1420/4885RECQL 4701/4885KCNA3 4347/4885
US-20110287927-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS AN ALKOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM CPNE4, HAO2, AP2M1 ALDH1A1 2242/4885RECQL 4423/4885KCNA3 2740/4885
US-20130217941-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS AN ALKOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM CPNE4, HAO2, AP2M1 ALDH1A1 2242/4885RECQL 4423/4885KCNA3 2740/4885

“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.