SCHEMBL4935831

SCHEMBL4935831

CCCCCCC(N)CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.46
S1PR1 P21453 6/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
ZDHHC7 Q9NXF8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.42
GPR84 Q9NQS5 4/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
LAP3 P28838 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL4931761 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL28682838 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL3223213 0.98 TP53 (0.44) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL1140577 0.98 TP53 (0.44) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL4934729 0.93 CYP1A2 (0.42) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL11421457 0.88 NAAA (0.56) S1PR2S1PR1S1PR3S1PR4
SCHEMBL8770739 0.88 NAAA (0.56) S1PR2S1PR1S1PR3S1PR4
SCHEMBL28245451 0.88 CPB2 (0.53) ALDH1A1
SCHEMBL30998049 0.88 NAAA (0.47) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL28410817 0.86 CYP1A2 (0.53) ALDH1A1

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
US-20080312080-A1 Novel dioctatin derivatives and production process thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-18 US disclosed
CN-1043125-A Be used as the aryl urea of the replacement of high-potency sweetener NUTRASWEET CO (US) 1990-06-20 CN disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 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-20080312080-A1 Novel dioctatin derivatives and production process thereof AKR7A2, HDHD5, DECR1 S1PR2 4302/4885S1PR1 4602/4885S1PR3 4418/4885

“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.