SCHEMBL3678055

SCHEMBL3678055

CC(C)(C)c1cc(C#N)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
CYP1A2 P05177 5/20 0.43
MAPT P10636 5/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 4/20 0.43
ALOX15 P16050 4/20 0.43
MEN1 O00255 3/20 0.43
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
RGS12 O14924 2/20 0.43
GMNN O75496 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL31386607 1.00 CA2 (0.43) CA2CA1SMN1; SMN2CYP1A2MAPT
SCHEMBL23542359 0.82 ALDH1A1 (0.42) SMN1; SMN2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL13854373 0.81 SMN1; SMN2 (0.63) CA2CA1SMN1; SMN2CYP1A2MAPT
SCHEMBL4871205 0.81 CA2 (0.43) CA2CA1SMN1; SMN2CYP1A2MAPT
SCHEMBL10394479 0.79 TSHR (0.48) SMN1; SMN2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL22096881 0.79 SMN1; SMN2 (0.42) CA2CA1SMN1; SMN2CYP1A2MAPT
SCHEMBL11161885 0.79 AR (0.45) SMN1; SMN2MAPTCYP2C19ALDH1A1CYP3A4
SCHEMBL35141 0.79 CA2 (0.67) CA2CA1SMN1; SMN2CYP1A2MAPT
SCHEMBL26179221 0.78 KIF11 (0.34) SMN1; SMN2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL16281762 0.77 KIF11 (0.33) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893707-B1 AUTOMOTIVE COATING COMPOSITIONS COMPRISING TRIS(HYDROXYPHENYL) TRIAZINES BASF SE (DE) 2014-12-10 EP disclosed
US-8431660-B2 Non-metallocene catalysts having tetrazol group for olefin polymerization and polymerizing method of olefin using the same LG CHEM, LTD. (KR) 2013-04-30 US disclosed
US-8431660-B2 Non-metallocene catalysts having tetrazol group for olefin polymerization and polymerizing method of olefin using the same LG CHEM, LTD. (KR) 2013-04-30 US disclosed
US-8431660-B2 Non-metallocene catalysts having tetrazol group for olefin polymerization and polymerizing method of olefin using the same LG CHEM, LTD. (KR) 2013-04-30 US disclosed
CN-101889029-B Non-metallocene catalysts having tetrazol group for olefin polymerization and polymerizing method of olefin using the same LG ELECTRONICS INC 2012-09-19 CN disclosed
CN-101889029-A Non-metallocene catalysts having tetrazol group for olefin polymerization and polymerizing method of olefin using the same LG CHEMICAL LTD 2010-11-17 CN disclosed
US-20100256315-A1 NON-METALLOCENE CATALYSTS HAVING TETRAZOL GROUP FOR OLEFIN POLYMERIZATION AND POLYMERIZING METHOD OF OLEFIN USING THE SAME LG CHEM, LTD. (KR) 2010-10-07 US disclosed
US-20100256315-A1 NON-METALLOCENE CATALYSTS HAVING TETRAZOL GROUP FOR OLEFIN POLYMERIZATION AND POLYMERIZING METHOD OF OLEFIN USING THE SAME LG CHEM, LTD. (KR) 2010-10-07 US disclosed
US-20100256315-A1 NON-METALLOCENE CATALYSTS HAVING TETRAZOL GROUP FOR OLEFIN POLYMERIZATION AND POLYMERIZING METHOD OF OLEFIN USING THE SAME LG CHEM, LTD. (KR) 2010-10-07 US disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-20100048841-A1 PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX SOLUTIONS, INC. (US) 2010-02-25 US disclosed
US-20100048841-A1 PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX SOLUTIONS, INC. (US) 2010-02-25 US disclosed
US-20090117394-A1 Tris(Hydroxyphenyl) Triazines CIBA CORPORATION 2009-05-07 US disclosed
US-20090117394-A1 Tris(Hydroxyphenyl) Triazines CIBA CORPORATION 2009-05-07 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 (2 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-20100256315-A1 NON-METALLOCENE CATALYSTS HAVING TETRAZOL GROUP FOR OLEFIN POLYMERIZATION AND POLYMERIZING METHOD OF OLEFIN USING THE SAME PPOX, TYK2, OXA1L CA2 2770/4885CA1 1554/4885SMN1; SMN2 2307/4885
US-20090117394-A1 Tris(Hydroxyphenyl) Triazines WIZ, CRYZ, TPH2 CA2 2001/4885CA1 1341/4885SMN1; SMN2 3687/4885

“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.