SCHEMBL3807657

SCHEMBL3807657

CCOc1ccccc1C(=O)OC(=O)CCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.48
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
HCRTR2 O43614 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8587610 0.87 HCRTR1 (0.57) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL28992535 0.82 HCRTR1 (0.62) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL1006864 0.79 HCRTR1 (0.58) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL18224473 0.77 HCRTR1 (0.57) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL6589832 0.77 HCRTR1 (0.57) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL28373054 0.77 HCRTR1 (0.50) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL28026700 0.75 KMT2A (0.51) NPSR1L3MBTL1ALDH1A1MAPTHTT
SCHEMBL6464181 0.75 HCRTR1 (0.62) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL4282830 0.75 HCRTR1 (0.62) HCRTR1NPSR1ESR1ESR2L3MBTL1
SCHEMBL28213609 0.75 ADRB2 (0.52) NPSR1L3MBTL1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US claimed

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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES HCRTR1 1930/4885NPSR1 205/4885ESR1 2142/4885

“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.