SCHEMBL685567

SCHEMBL685567

OCCOP(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
TSHR P16473 2/20 0.33
IDO1 P14902 1/20 0.33
KCNA3 P22001 1/20 0.31
LTA4H P09960 1/20 0.30
KCNH3 Q9ULD8 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
SCHEMBL3963406 0.85 CYP3A4 (0.43) ALDH1A1RECQLGAATDP1CYP3A4
SCHEMBL685644 0.78 ALDH1A1 (0.48) ALDH1A1RECQLGAATDP1CYP3A4
SCHEMBL1726314 0.77 LMNA (0.39) ALDH1A1GAATDP1CYP3A4MEN1
SCHEMBL13761754 0.76 CA2 (0.41) ALDH1A1GAATDP1CYP3A4MEN1
SCHEMBL13379390 0.76 CYP3A4 (0.35) TDP1CYP3A4KCNA3
SCHEMBL1726701 0.74 LTA4H (0.47) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL6860913 0.73 CYP3A4 (0.36) ALDH1A1TDP1CYP3A4ESR1ESR2
SCHEMBL30492595 0.72 HTT (0.37) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL13379304 0.72 KCNA3 (0.32) TDP1CYP3A4KCNA3
SCHEMBL1726193 0.72 LTA4H (0.47) ALDH1A1CYP3A4MEN1KMT2AESR1

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.