SCHEMBL2154684

SCHEMBL2154684

CC(C)(C)c1cc(C#N)ccc1-c1ccc(C#N)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
TRPV4 Q9HBA0 1/20 0.43
CYP2A6 P11509 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PDK2 Q15119 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 4/20 0.36
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL15853126 0.85 PTGDR2 (0.42) KIF11TRPV4ALDH1A1PDK2CYP1A2
SCHEMBL23873019 0.84 KIF11 (0.47) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL15853128 0.82 CA1 (0.46) ALDH1A1PDK2CA2LMNAALOX15
SCHEMBL29397303 0.81 KIF11 (0.44) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL5368308 0.81 ALDH1A1 (0.57) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL19726590 0.81 KIF11 (0.44) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL29437966 0.81 ALDH1A1 (0.57) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL11724576 0.81 KIF11 (0.44) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL8852317 0.81 KIF11 (0.44) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL7116955 0.79 KIF11 (0.42) KIF11TRPV4CYP2A6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 EP disclosed
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-06-16 US disclosed
US-9283555-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-03-15 US disclosed
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-08-07 US disclosed
US-8680003-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-03-25 US disclosed
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-12-06 US disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 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 (5 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-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 KIF11 3803/4885TRPV4 2097/4885CYP2A6 4835/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 KIF11 3803/4885TRPV4 2097/4885CYP2A6 4835/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 KIF11 3803/4885TRPV4 2097/4885CYP2A6 4835/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 KIF11 3803/4885TRPV4 2097/4885CYP2A6 4835/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 KIF11 3803/4885TRPV4 2097/4885CYP2A6 4835/4885

“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.