SCHEMBL473096

SCHEMBL473096

CCCCOC(=O)NCCCCCNC(=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
SCHEMBL473236 1.00 ACHE (0.85) ACHEEPHX1EPHX2
SCHEMBL7785857 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
US-9404132-B2 Method for producing 1,5-pentamethylenediamine, 1,5-pentamethylenediamine, 1,5-pentamethylene diisocyanate, method for producing 1,5-pentamethylene diisocyanate, polyisocyanate composition, and polyurethane resin MITSUI CHEMICALS, INC. (JP) 2016-08-02 US disclosed
EP-2412703-B1 URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF MITSUI CHEMICALS INC (JP) 2016-06-29 EP disclosed
US-9150502-B2 Urethane compound and method for producing the same, and isocyanate and method for producing the same MITSUI CHEMICALS, INC. (JP) 2015-10-06 US disclosed
US-20130079486-A1 METHOD FOR PRODUCING 1,5-PENTAMETHYLENEDIAMINE, 1,5-PENTAMETHYLENEDIAMINE, 1,5-PENTAMETHYLENE DIISOCYANATE, METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN MITSUI CHEMICALS, INC. (JP) 2013-03-28 US disclosed
EP-2412703-A1 URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
US-20120010427-A1 URETHANE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ISOCYANATE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. 2012-01-12 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 (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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ACHE 29/4885EPHX1 3020/4885EPHX2 1193/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ACHE 29/4885EPHX1 3020/4885EPHX2 1193/4885

“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.