SCHEMBL685511

SCHEMBL685511

OCCCP(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
KCNA3 P22001 1/20 0.38
LTA4H P09960 3/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
F2 P00734 1/20 0.32
PLG P00747 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
SCHEMBL11074250 0.87 KCNA3 (0.44) ALDH1A1RECQLKCNA3LTA4HKMT2A
SCHEMBL4451586 0.79 LTA4H (0.47) ALDH1A1KCNA3LTA4HLMNADRD2
SCHEMBL29079501 0.79 TAAR1 (0.43) KCNA3LTA4H
SCHEMBL28452597 0.78 ACHE (0.44) ALDH1A1LMNAKMT2ATSHRDRD2
SCHEMBL4458129 0.78 ALDH1A1 (0.44) ALDH1A1RECQLKCNA3LTA4HLMNA
SCHEMBL6857868 0.76 LTA4H (0.46) ALDH1A1LTA4HLMNATSHRDRD2
SCHEMBL6742130 0.76 LTA4H (0.46) ALDH1A1LTA4HLMNATSHRDRD2
SCHEMBL6741371 0.76 LTA4H (0.46) ALDH1A1LTA4HLMNATSHRDRD2
SCHEMBL6745882 0.76 LTA4H (0.46) ALDH1A1LTA4HLMNATSHRDRD2
SCHEMBL4456043 0.74 LTA4H (0.41) KCNA3LTA4HLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 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.