SCHEMBL23825005

SCHEMBL23825005

CCCCCCCCCC(O)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
LPAR1 Q92633 1/20 0.52
LPAR3 Q9UBY5 1/20 0.52
FDPS P14324 8/20 0.48
GGPS1 O95749 5/20 0.48
CES1 P23141 4/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL11805374 1.00 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL23824965 1.00 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL7883322 1.00 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL9179320 0.97
SCHEMBL7858317 0.88
SCHEMBL23825184 0.83 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL9064349 0.83 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL23824920 0.83 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL2858844 0.83 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL8862851 0.83 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882235-B1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND UNIV KOBE NAT UNIV CORP (JP) 2025-01-22 EP disclosed
US-12060312-B2 Production method for isocyanate compound NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2024-08-13 US disclosed
WO-2022065133-A1 METHOD FOR PRODUCING CARBONATE COMPOUND 国立大学法人神戸大学 2022-03-31 WO disclosed
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2022-01-06 US disclosed
EP-3882235-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND National University Corporation Kobe University (JP) 2021-09-22 EP disclosed
CN-113015719-A Method for producing isocyanate compound 国立大学法人神户大学 2021-06-22 CN 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-12060312-B2 Production method for isocyanate compound IDH2, CBR3, IDH3A CES2 1339/4885LPAR1 3273/4885LPAR3 2182/4885
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND IDH2, CBR3, IDH3A CES2 1339/4885LPAR1 3273/4885LPAR3 2182/4885

“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.