SCHEMBL473236

SCHEMBL473236

CCCCOC(=O)NCCCCCCNC(=O)OCCCC

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.85
EPHX1 P07099 1/20 0.64
EPHX2 P34913 2/20 0.60

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
SCHEMBL10447924 1.00 ACHE (0.85) ACHEEPHX1EPHX2
SCHEMBL7785857 1.00 ACHE (0.85) ACHEEPHX1EPHX2
SCHEMBL473096 1.00 ACHE (0.85) ACHEEPHX1EPHX2
SCHEMBL13387616 1.00 ACHE (0.85) ACHEEPHX1EPHX2
SCHEMBL13387437 1.00 ACHE (0.85) ACHEEPHX1EPHX2
SCHEMBL8435881 0.98 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10816622 0.98 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL13506577 0.98 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL3897800 0.98 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL11050872 0.98 ACHE (0.81) ACHEEPHX1EPHX2

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 103 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
US-20230212110-A1 CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-06 US disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
EP-4169901-A1 CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD National Institute Of Advanced Industrial Science and Technology (JP) 2023-04-26 EP disclosed
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 EP disclosed
US-5284969-A Thermal decomposition of the corresponding carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0542106-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1993-05-19 EP disclosed
US-4851565-A FROM DI- OR POLYAMINES, UREA AND MONOFUNCTIONAL ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
US-4713476-A REACTING DI- OR POLYAMINE, UREA AND ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed
EP-0018586-B2 PROCESS FOR PREPARING ALIPHATIC AND CYCLOALIPHATIC DI- AND POLYURETHANES BASF Aktiengesellschaft (DE) 1987-01-07 EP disclosed
US-4497963-A ETHYLENICALLY UNSATURADED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed
EP-0018586-B1 PROCESS FOR PREPARING ALIPHATIC AND CYCLOALIPHATIC DI- AND POLYURETHANES BASF Aktiengesellschaft (DE) 1982-12-08 EP disclosed
EP-0018588-A1 Process for preparing aliphatic and cycloaliphatic di- and polyurethanes BASF Aktiengesellschaft (DE) 1980-11-12 EP disclosed
EP-0018586-A1 Process for preparing aliphatic and cycloaliphatic di- and polyurethanes BASF Aktiengesellschaft (DE) 1980-11-12 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 (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-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE ALKBH3, DDC, ALKBH5 ACHE 2311/4885EPHX1 3411/4885EPHX2 1207/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 ACHE 111/4885EPHX1 1722/4885EPHX2 423/4885
US-20230212110-A1 CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD CPS1, ATM, OAT ACHE 372/4885EPHX1 4796/4885EPHX2 4355/4885

“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.