SCHEMBL1616893

SCHEMBL1616893

CCCCCCCCNC(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 1.00
ACHE P22303 7/20 0.59
CASP2 P42575 1/20 0.57
MGLL Q99685 1/20 0.54

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
SCHEMBL28335637 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL27052567 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL28556990 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL10118264 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL13387440 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL13387508 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL3910901 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL717504 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL22693961 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL13387583 1.00 EPHX1 (1.00) EPHX1ACHECASP2MGLL

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3679013-B1 METHOD FOR MAKING ISOCYANATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-29 EP disclosed
CN-111051276-B Method for producing isocyanates 科思创德国股份有限公司 2022-09-09 CN disclosed
US-10858310-B1 Method for producing isocyanates COVERSTRO DEUTSCHLAND AG (DE) 2020-12-08 US disclosed
US-20200361856-A1 METHOD FOR PRODUCING ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2020-11-19 US disclosed
EP-3679013-A1 METHOD FOR PRODUCING ISOCYANATES Covestro Deutschland AG (DE) 2020-07-15 EP disclosed
CN-111051276-A Method for producing isocyanates 科思创德国股份有限公司 2020-04-21 CN disclosed
CN-103687847-B The manufacturing method of isocyanate compound 宇部兴产株式会社 2019-04-02 CN disclosed
WO-2019043180-A1 METHOD FOR PRODUCING ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2019-03-07 WO disclosed
CN-105263618-B Solid catalyst and used the solid catalyst isocyanate compound manufacture method 宇部兴产株式会社 2018-02-16 CN disclosed
CN-103391813-B Isocyanate compound catalyst for producing and use the manufacture method of isocyanate compound of this catalyst UBE INDUSTRIES, LTD. (JP) 2016-04-13 CN disclosed
US-7122697-B2 Method for producing carbamates and method for producing isocyanates MITSUI TAKEDA CHEMICALS, INC. (JP) 2006-10-17 US disclosed
US-6998364-B2 Process for the formation of urethane via transcarbamation RHODIA CHIMIE (FR) 2006-02-14 US disclosed
US-20040044242-A1 Use as catalyst for forming urethanes,of fluorinated and of trivalent metal acid salts, composition containing same and methods using same VENCOREX FRANCE (FR) 2004-03-04 US disclosed
CN-1469888-A Use as catalyst for forming urethanes, of fluorinated and trivalent metal acid salts, composition containing same and methods using same �޵��ǻ�ѧ��˾ 2004-01-21 CN disclosed
US-20030125579-A1 Method for producing carbamates and method for producing isocyanates MITSUI TAKEDA CHEMICALS, INC. (JP) 2003-07-03 US disclosed
EP-1323708-A1 Method for producing carbamates and method for producing isocyanates Mitsui Takeda Chemicals, Inc. (JP) 2003-07-02 EP disclosed
EP-0672653-B1 Process for producing isocyanates MITSUBISHI GAS CHEMICAL CO (JP) 1998-01-14 EP disclosed
US-5502244-A DECOMPOSING A CARBAMATE WITH SULFONIC ACID CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-03-26 US disclosed
EP-0672653-A1 Process for producing isocyanates MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-09-20 EP disclosed
US-4386033-A BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 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 (3 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-20040044242-A1 Use as catalyst for forming urethanes,of fluorinated and of trivalent metal acid salts, composition containing same and methods using same PHF2, UBE2T, UHRF1 EPHX1 3358/4885ACHE 877/4885CASP2 4232/4885
US-20200361856-A1 METHOD FOR PRODUCING ISOCYANATES IDH2, ADH5, ADH1C EPHX1 726/4885ACHE 929/4885CASP2 3034/4885
US-10858310-B1 Method for producing isocyanates IDH2, ADH5, ADH1C EPHX1 726/4885ACHE 929/4885CASP2 3034/4885

“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.