SCHEMBL685644

SCHEMBL685644

OCCOP(Oc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
GAA P10253 1/20 0.35
KCNA3 P22001 1/20 0.34
LTA4H P09960 2/20 0.33
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
CYP3A4 P08684 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
SCHEMBL15417421 0.80 CA2 (0.36) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL20710739 0.79 LTA4H (0.49) ALDH1A1RECQLKCNA3LTA4HTDP1
SCHEMBL685508 0.79 ALDH1A1 (0.54) ALDH1A1RECQLGAAKCNA3LTA4H
SCHEMBL685567 0.78 ALDH1A1 (0.46) ALDH1A1RECQLGAAKCNA3LTA4H
SCHEMBL195903 0.77 LTA4H (0.43) ALDH1A1RECQLKCNA3LTA4HTAAR1
SCHEMBL8939051 0.77 LTA4H (0.39) KCNA3LTA4HTDP1TSHRCYP3A4
SCHEMBL16822398 0.77 ALDH1A1 (0.52) ALDH1A1RECQLGAAKCNA3LTA4H
SCHEMBL8939022 0.73 DRD2 (0.37) ALDH1A1LTA4HMEN1KMT2ATSHR
SCHEMBL8938994 0.71 LTA4H (0.41) LTA4HTDP1
SCHEMBL8939020 0.70 CA4 (0.44) KCNA3LTA4HKMT2ATDP1TSHR

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 10 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-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 4701/4885GAA 2154/4885
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 4423/4885GAA 3560/4885
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 4423/4885GAA 3560/4885

“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.