SCHEMBL12309149

SCHEMBL12309149

Cc1cc(CC2CCCO2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
HIF1A Q16665 2/20 0.51
CYP2D6 P10635 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.45
CA2 P00918 1/20 0.45
TYR P14679 1/20 0.45
HPGD P15428 6/20 0.40
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6650376 0.79 HSPA5 (0.50) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Hydrochloric Acid SCHEMBL6649318 0.77 HSPA5 (0.48) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL6649041 0.75 HSPA5 (0.49) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL12309156 0.71 HSPA5 (0.68) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL34162 0.70 HSPA5 (1.00) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL29351672 0.70 HSPA5 (1.00) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL2230912 0.70 HSPA5 (0.78) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL29558774 0.70 HSPA5 (0.78) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL29415372 0.70 HSPA5 (1.00) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL23389375 0.70 HSPA5 (0.65) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A

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 2892/4885SMN1; SMN2 4735/4885CYP2C9 1199/4885

“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.