Ethane

Ethane

SCHEMBL2153516

CC.CC(C)(C)c1cc(C=O)ccc1Cl.CC(C)(C)c1cc(C=O)ccc1Cl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ VCAM1 P19320 1/20 0.44
▸ ALDH1A3 P47895 3/20 0.40
▸ ALDH3A1 P30838 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 1/20 0.37
▸ GABBR2 O75899 1/20 0.37
▸ GABBR1 Q9UBS5 1/20 0.37
▸ PTGS2 P35354 3/20 0.36
▸ TYR P14679 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ CYP2A6 P11509 2/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ AOX1 Q06278 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH5A1 P51649 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
SCHEMBL2154414 0.84 ALDH1A1 (0.43) ALDH1A1VCAM1ALDH1A3ALDH3A1GABBR2
SCHEMBL16475651 0.83 ALDH1A1 (0.53) ALDH1A1VCAM1ALDH1A3ALDH3A1HSD17B10
SCHEMBL5188027 0.82 ALDH1A1 (0.57) ALDH1A1VCAM1ALDH1A3ALDH3A1HSD17B10
SCHEMBL11328597 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRGABBR2GABBR1
SCHEMBL40676 0.78 ALDH1A1 (0.57) ALDH1A1VCAM1ALDH1A3HSD17B10NPFFR1
SCHEMBL6806726 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRGABBR2GABBR1
Ethane SCHEMBL2154928 0.78 GABBR2 (0.40) ALDH1A1HSD17B10TSHRGABBR2GABBR1
SCHEMBL29818708 0.76 ALDH1A1 (0.39) ALDH1A1ALDH1A3HSD17B10TSHRGABBR2
SCHEMBL16976598 0.76 ALDH1A1 (0.53) ALDH1A1VCAM1ALDH1A3ALDH3A1HSD17B10
SCHEMBL16381881 0.76 ALDH1A1 (0.53) ALDH1A1VCAM1ALDH1A3ALDH3A1HSD17B10

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 ALDH1A1 4849/4885VCAM1 4759/4885ALDH1A3 4818/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885VCAM1 4759/4885ALDH1A3 4818/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885VCAM1 4759/4885ALDH1A3 4818/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885VCAM1 4759/4885ALDH1A3 4818/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885VCAM1 4759/4885ALDH1A3 4818/4885

“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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