SCHEMBL4121863

SCHEMBL4121863

CC(C)(C)P(CC1CCCC1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
SIGMAR1 Q99720 3/20 0.31

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
SCHEMBL3679063 0.97 CYP1A2 (0.41) CYP1A2SIGMAR1
SCHEMBL4126543 0.95 CYP1A2 (0.32) CYP1A2
SCHEMBL4459922 0.79 CA1 (0.30)
SCHEMBL1734110 0.79 CA1 (0.30)
SCHEMBL1734108 0.79 CA1 (0.30)
SCHEMBL1734984 0.74
SCHEMBL1734982 0.74
SCHEMBL1734007 0.72
SCHEMBL1734006 0.72
SCHEMBL3676868 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116237086-B Efficient catalyst system for preparing methyl propionate by ethylene carbonylation based on antioxidant strategy 中国科学院长春应用化学研究所 2023-11-03 CN claimed
CN-116237086-A Efficient catalyst system for preparing methyl propionate by ethylene carbonylation based on antioxidant strategy 中国科学院长春应用化学研究所 2023-06-09 CN claimed
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN claimed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP claimed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO claimed
CN-116237086-B Efficient catalyst system for preparing methyl propionate by ethylene carbonylation based on antioxidant strategy 中国科学院长春应用化学研究所 2023-11-03 CN disclosed
CN-116237086-A Efficient catalyst system for preparing methyl propionate by ethylene carbonylation based on antioxidant strategy 中国科学院长春应用化学研究所 2023-06-09 CN disclosed
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN disclosed
US-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US disclosed
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2015-04-09 US disclosed
US-8785678-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2014-07-22 US disclosed
US-20120309613-A1 CARBONYLATION PROCESS LUCITE INTERNATIONAL UK LIMITED (GB) 2012-12-06 US disclosed
US-20120277474-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2012-11-01 US disclosed
EP-2018218-A1 MIXING APPARATUS Lucite International UK Limited (GB) 2009-01-28 EP disclosed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP disclosed
WO-2007129023-A1 MIXING APPARATUS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-11-15 WO disclosed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 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 (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-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK CYP1A2 290/4885SIGMAR1 470/4885
US-20120277474-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE CCNE2, CYC1, ETFB CYP1A2 288/4885SIGMAR1 490/4885

“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.