SCHEMBL5194063

SCHEMBL5194063

CCCCCCCCC(Cl)CC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
NAAA Q02083 1/20 0.47
TSHR P16473 1/20 0.47
DRD3 P35462 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRSS1 P07477 2/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
PRSS2 P07478 1/20 0.44

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
SCHEMBL27616858 1.00 CES2 (0.49) CES2CES1KMT2AMEN1NPC1
SCHEMBL5196176 1.00 CES2 (0.49) CES2CES1KMT2AMEN1NPC1
SCHEMBL5195867 1.00 CES2 (0.49) CES2CES1KMT2AMEN1NPC1
SCHEMBL5198198 1.00 CES2 (0.49) CES2CES1KMT2AMEN1NPC1
Ammonia Solution, Strong SCHEMBL134867 0.98 CES2 (0.47) CES2CES1KMT2AMEN1NPC1
SCHEMBL5196048 0.98 KMT2A (0.49) CES2CES1KMT2AMEN1NPC1
SCHEMBL5196375 0.93 KMT2A (0.50) CES2CES1KMT2AMEN1NPC1
SCHEMBL5197283 0.88 TSHR (0.52) CES2CES1KMT2AMEN1NPC1
SCHEMBL15155157 0.85 PRSS1 (0.52) CES2CES1KMT2AMEN1NPC1
SCHEMBL14866986 0.85 PRSS1 (0.52) CES2CES1KMT2AMEN1NPC1

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-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES CES2 1285/4885CES1 193/4885KMT2A 3888/4885

“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.