SCHEMBL8644657

SCHEMBL8644657

CSCc1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.68
CYP2C9 P11712 5/20 0.66
CYP2C19 P33261 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
HIF1A Q16665 5/20 0.66
ALDH1A1 P00352 5/20 0.59
CA2 P00918 3/20 0.59
POLB P06746 1/20 0.59
TYR P14679 1/20 0.59
CYP2D6 P10635 3/20 0.58
HSD17B10 Q99714 1/20 0.58
CA1 P00915 2/20 0.41
CYP1A2 P05177 5/20 0.40
ALOX15 P16050 3/20 0.40
MAPT P10636 3/20 0.40
HPN P05981 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
TP53 P04637 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38

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
SCHEMBL9180157 0.87 HSPA5 (0.70) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL16572062 0.83 HSPA5 (0.64) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1274870 0.82 HSPA5 (0.54) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL15450311 0.81 HSPA5 (0.72) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29415372 0.81 HSPA5 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29351672 0.81 HSPA5 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29558774 0.81 HSPA5 (0.78) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL2230912 0.81 HSPA5 (0.78) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL34162 0.81 HSPA5 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11247674 0.79 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598396-B1 Improved method for the preparation of 3-Amino-2-chloro-4-alkylpyridines BOEHRINGER INGELHEIM PHARMA (US) 1998-09-02 EP claimed
US-5654429-A REACTING 3-AMINO-2-CHLOROPYRIDINE WITH A SULFIDE IN PRESENCE OF HALOGENATING AGENT, HEATING IN PRESENCE OF TRIETHYLAMINE, METHANESULFONIC ACID AND ORGANIC SOLVENT(OR PHENOL AND SOLVENT), THEN HEATING WITH ETHANOL AND RANEY NICKEL BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 1997-08-05 US claimed
EP-0598396-A1 Improved method for the preparation of 3-Amino-2-chloro-4-alkylpyridines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1994-05-25 EP claimed
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
EP-0598396-B1 Improved method for the preparation of 3-Amino-2-chloro-4-alkylpyridines BOEHRINGER INGELHEIM PHARMA (US) 1998-09-02 EP disclosed
US-5654429-A REACTING 3-AMINO-2-CHLOROPYRIDINE WITH A SULFIDE IN PRESENCE OF HALOGENATING AGENT, HEATING IN PRESENCE OF TRIETHYLAMINE, METHANESULFONIC ACID AND ORGANIC SOLVENT(OR PHENOL AND SOLVENT), THEN HEATING WITH ETHANOL AND RANEY NICKEL BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 1997-08-05 US disclosed
EP-0598396-A1 Improved method for the preparation of 3-Amino-2-chloro-4-alkylpyridines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1994-05-25 EP 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.