SCHEMBL6301730

SCHEMBL6301730

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.42
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL7077864 0.93 TRPM8 (0.43) TRPM8HPGDALDH1A1KDM4EMAPK1
SCHEMBL7081429 0.90 TRPM8 (0.45) TRPM8HPGDALDH1A1KDM4EMAPK1
SCHEMBL7141092 0.87 WRN (0.33) GAAHTR2AHTR2BADRA2ADRD2
SCHEMBL7078475 0.87 TRPM8 (0.44) TRPM8HPGDALDH1A1KDM4EMAPK1
SCHEMBL6295877 0.86 GLI1 (0.34) KDM4EOPRM1OPRK1LMNASMN1; SMN2
SCHEMBL6295721 0.85 PPIB (0.32) DRD2DRD1
SCHEMBL6296998 0.81 DRD2 (0.35) DRD2DRD4OPRM1DRD3OPRK1
SCHEMBL6295927 0.81 ESR1 (0.36) ALDH1A1KDM4EHSD17B10HTR2CADRA2A
SCHEMBL6297393 0.81 OPRD1 (0.32) HTR2AHTR2BADRA2ADRD2ADRA2C
SCHEMBL7078899 0.79 WRN (0.34) HPGDALDH1A1GAAHTR2AHTR2B

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-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6927217-B2 HIV protease inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-09 US disclosed
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP TRPM8 4280/4885HPGD 995/4885ALDH1A1 2323/4885

“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.