SCHEMBL7252127

SCHEMBL7252127

COC(=O)NCCCCNC(=O)OC

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.77
ACHE P22303 8/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 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
SCHEMBL7788569 0.97 EPHX1 (0.82) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL7788927 0.97 EPHX1 (0.82) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL7788937 0.97 EPHX1 (0.82) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL717081 0.97 EPHX1 (0.82) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL14252129 0.97 EPHX1 (0.82) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL14433357 0.94 EPHX1 (0.70) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL23735538 0.92 EPHX1 (0.68) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL13313064 0.90 EPHX1 (0.65) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL4790564 0.90 EPHX1 (0.65) EPHX1ACHEKDM4EMAPK1HIF1A
SCHEMBL23735485 0.90 EPHX1 (0.72) EPHX1ACHEKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927763-B2 Method for preparing aliphatic diisocyanate UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2015-01-06 US claimed
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-10-09 US claimed
JP-7258194-A None JP disclosed
JP-9087239-A None JP disclosed
US-20250257479-A1 SYNTHETIC METHOD AND SYNTHETIC SYSTEM SEKISUI CHEMICAL CO., LTD. (JP) 2025-08-14 US disclosed
US-12320023-B2 Synthetic method and synthetic system SEKISUI CHEMICAL CO., LTD. (JP) 2025-06-03 US disclosed
US-20220010436-A1 SYNTHETIC METHOD AND SYNTHETIC SYSTEM SEKISUI CHEMICAL CO., LTD. (JP) 2022-01-13 US disclosed
US-11193212-B2 Synthetic method and synthetic system SEKISUI CHEMICAL CO., LTD. (JP) 2021-12-07 US disclosed
EP-3856954-A1 SYNTHESIS METHOD AND SYNTHESIS SYSTEM Sekisui Chemical Co., Ltd. (JP) 2021-08-04 EP disclosed
WO-2020067577-A1 SYNTHESIS METHOD AND SYNTHESIS SYSTEM SEKISUI CHEMICAL CO., LTD. (JP) 2020-04-02 WO disclosed
US-20200095692-A1 SYNTHETIC METHOD AND SYNTHETIC SYSTEM SEKISUI CHEMICAL CO., LTD. (JP) 2020-03-26 US disclosed
US-8927763-B2 Method for preparing aliphatic diisocyanate UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2015-01-06 US disclosed
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-10-09 US disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-20120271067-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS, INC. 2012-10-25 US disclosed
US-6639101-B2 Catalytic thermal decomposition of carbamates using silicates (clays, zeolites) as catalysts REPSOL QUIMICA, S.A. (ES) 2003-10-28 US disclosed
JP-H0987239-A PRODUCTION OF ISOCYANATE MITSUBISHI GAS CHEM CO INC 1997-03-31 JP disclosed
JP-H07258194-A PRODUCTION OF ISOCYANATES MITSUBISHI GAS CHEM CO INC 1995-10-09 JP disclosed
US-5138015-A Reacting dialkyl carbonate with diamine to give urethane, thermally decomposing into diisocyanate, coverting into polyurethane in presence of Lewis acid and/or protonic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
EP-0477376-A1 PROCESS FOR PRODUCING POLYURETHANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-01 EP 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 (4 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-11193212-B2 Synthetic method and synthetic system HCCS, CYP11B2, COX14 EPHX1 3507/4885ACHE 1632/4885KDM4E 2045/4885
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE ALKBH3, DDC, ALKBH5 EPHX1 3411/4885ACHE 2311/4885KDM4E 104/4885
US-20220010436-A1 SYNTHETIC METHOD AND SYNTHETIC SYSTEM HCCS, CYP11B2, COX14 EPHX1 3507/4885ACHE 1632/4885KDM4E 2045/4885
US-20200095692-A1 SYNTHETIC METHOD AND SYNTHETIC SYSTEM HCCS, CYP11B2, COX14 EPHX1 3507/4885ACHE 1632/4885KDM4E 2045/4885

“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.