SCHEMBL983101

SCHEMBL983101

CCC(CC)COC(=O)NCCCCCCNC(=O)OCC(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.52
EPHX1 P07099 1/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL982585 0.88 CYP3A4 (0.57) ACHEEPHX1ALOX15
SCHEMBL9702525 0.82 CYP3A4 (0.58) ACHEALOX15
SCHEMBL12593617 0.82 ACHE (0.58) ACHEALOX15
SCHEMBL10724285 0.81 ACHE (0.55) ACHEALOX15
SCHEMBL12451130 0.79 EPHX1 (0.58) ACHEEPHX1ALOX15
SCHEMBL16449802 0.79 EPHX1 (0.58) ACHEEPHX1ALOX15
SCHEMBL12537126 0.78 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL12537124 0.78 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL12537122 0.78 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL12537129 0.78 EPHX1 (0.61) ACHEEPHX1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 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 (1 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ACHE 228/4885EPHX1 2993/4885ALOX15 3286/4885

“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.