SCHEMBL4958852

SCHEMBL4958852

CCCCCCCCCCCCCCCCCCCC(=O)C([C]=O)CCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.46
CES1 P23141 3/20 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
SCHEMBL693122 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL11540653 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL10722450 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL11229618 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL2304845 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL7663036 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL5802863 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL9119248 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL9868874 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1
SCHEMBL1692351 1.00 CES2 (0.52) CES2FFAR4FFAR1MAPTCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206937-B1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR THE TREATMENT OF ATOPIC DERMATITIS SHOEI CO LTD (JP) 2008-01-23 EP disclosed
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 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-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA CES2 2960/4885FFAR4 971/4885FFAR1 1451/4885

“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.