SCHEMBL12309148

SCHEMBL12309148

Cc1cc(CCP(c2ccccc2)c2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.54
▸ CYP2C9 P11712 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP2D6 P10635 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CA2 P00918 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL14022676 0.86 HSPA5 (0.57) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL12309162 0.80 HSPA5 (0.60) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL27620852 0.80 GAA (0.49) CYP2C9CYP2C19HIF1ASMN1; SMN2CYP2D6
SCHEMBL2230912 0.78 HSPA5 (0.78) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29558774 0.78 HSPA5 (0.78) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL28320829 0.76 HSPA5 (0.63) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL2162942 0.75 HSPA5 (0.72) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL30061702 0.75 HSPA5 (0.72) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
Phenol SCHEMBL23706530 0.75 HSPA5 (0.77) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL4459522 0.75 HSPA5 (0.72) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2

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 HSPA5 2892/4885CYP2C9 1199/4885CYP2C19 1025/4885

“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.

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