SCHEMBL12309151

SCHEMBL12309151

Cc1cc(CN2CCCC2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 5/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSPA5 P11021 1/20 0.60
CYP2C9 P11712 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP2C19 P33261 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
MAPK1 P28482 3/20 0.54
XBP1 P17861 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 4/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 3/20 0.52
POLB P06746 2/20 0.52
CA2 P00918 1/20 0.52
TYR P14679 1/20 0.52
MAPT P10636 4/20 0.49

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
SCHEMBL11824095 0.98 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1HSPA5CYP2C9
SCHEMBL9733702 0.91 HSPA5 (0.61) ALDH1A1KDM4ETDP1HSPA5CYP2C9
SCHEMBL11004910 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1HSPA5CYP2C9
SCHEMBL11821789 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1CYP2C9HIF1A
SCHEMBL6057500 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1CYP2C9HIF1A
SCHEMBL9849461 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1HSPA5CYP2C9
SCHEMBL12771550 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1HSPA5CYP2C9
SCHEMBL10104483 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1HSPA5CYP2C9
SCHEMBL11657302 0.79 MAPT (0.56) ALDH1A1KDM4ETDP1CYP2C9HIF1A
SCHEMBL9746354 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1HSPA5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260358-B2 Process for oligomerization of olefins that uses a catalytic composition that comprises an organometallic complex that contains a phenoxy ligand that is functionalized by a heteroatom IFP Energies Nouvelles (FR) 2016-02-16 US disclosed
US-9260358-B2 Process for oligomerization of olefins that uses a catalytic composition that comprises an organometallic complex that contains a phenoxy ligand that is functionalized by a heteroatom IFP Energies Nouvelles (FR) 2016-02-16 US disclosed
US-20110213190-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS A PHENOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM IFP (FR) 2011-09-01 US disclosed
US-20110213190-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS A PHENOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM IFP (FR) 2011-09-01 US disclosed
WO-2008142295-A1 METHOD FOR OLIGOMERISING OLEFINS USING A CATALYTIC COMPOSITION COMPRISING AN ORGANOMETAL COMPLEX CONTAINING A PHENOXY LIGAND FUNCTIONALISED BY A HETEROATOM IFP (FR) 2008-11-27 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-20110213190-A1 PROCESS FOR OLIGOMERIZATION OF OLEFINS THAT USES A CATALYTIC COMPOSITION THAT COMPRISES AN ORGANOMETALLIC COMPLEX THAT CONTAINS A PHENOXY LIGAND THAT IS FUNCTIONALIZED BY A HETEROATOM HAO2, CPNE4, POF1B ALDH1A1 2511/4885KDM4E 2023/4885TDP1 3364/4885

“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.