SCHEMBL7078475

SCHEMBL7078475

CCCN(C1=C(O)CC(C)(CCc2ccc3c(c2)OCO3)OC1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.39
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
CALM1 P0DP23 2/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL6301730 0.87 TRPM8 (0.42) TRPM8ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL6295957 0.86 ESR1 (0.36) ALDH1A1GAAMAPTDRD2OPRM1
SCHEMBL7079047 0.80 SIGMAR1 (0.35) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7077467 0.79 OPRM1 (0.34) ALDH1A1MAPTDRD2DRD1DRD4
SCHEMBL7077864 0.79 TRPM8 (0.43) TRPM8ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL6295928 0.78 ESRRG (0.32) ALDH1A1GAARAB9ALMNASMN1; SMN2
SCHEMBL7080670 0.78 LMNA (0.36) ALDH1A1GAAMAPTOPRM1OPRK1
SCHEMBL7081436 0.77 MTNR1B (0.32) DRD2DRD1DRD4OPRM1DRD3
SCHEMBL7077373 0.77 LMNA (0.33) LMNASMN1; SMN2
SCHEMBL7081429 0.76 TRPM8 (0.45) TRPM8ALDH1A1KDM4EMAPK1HSD17B10

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-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP TRPM8 4280/4885ALDH1A1 2323/4885KDM4E 1481/4885

“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.