SCHEMBL25865221

SCHEMBL25865221

CC1(c2cccc(CO)c2)CCC2(CO1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
BACE1 P56817 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALOX5 P09917 2/20 0.31
ENPP2 Q13822 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL856097 0.76 OPRM1 (0.40) OPRM1OPRD1OPRK1HCAR3HCAR2
SCHEMBL23706677 0.71 OPRM1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL9386145 0.70 OPRM1 (0.37) OPRM1OPRD1OPRK1ENPP2
SCHEMBL361976 0.66 CHRNB2 (0.39) OPRD1ALOX5SLC6A4SLC6A3
SCHEMBL16344886 0.65 ALOX5 (0.42) OPRM1OPRD1OPRK1ALOX5ENPP2
SCHEMBL6026181 0.65 ALOX5 (0.60) ALOX5
SCHEMBL25865053 0.65 DRD2 (0.44) ENPP2
SCHEMBL8403957 0.65 SLC6A4 (0.43) OPRM1HCAR3HCAR2ALOX5SLC6A4
SCHEMBL25865230 0.64 OPRM1 (0.34) OPRM1OPRD1OPRK1ALOX5ENPP2
SCHEMBL27899553 0.63 TSHR (0.38) OPRM1OPRK1CYP26A1CYP26B1HCAR3

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-20230227465-A1 METHOD FOR EVALUATING QUALITY OF (3S)-3-(4-(3-(1,4-DIOXASPIRO[4,5]DEC-7-EN-8-YL)BENZYLOXY)PHENYL)HEX-4-INOIC ACID HYUNDAI PHARM CO., LTD. (KR) 2023-07-20 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-20230227465-A1 METHOD FOR EVALUATING QUALITY OF (3S)-3-(4-(3-(1,4-DIOXASPIRO[4,5]DEC-7-EN-8-YL)BENZYLOXY)PHENYL)HEX-4-INOIC ACID ITPR2, IPO7, IPO4 OPRM1 1135/4885OPRD1 762/4885OPRK1 897/4885

“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.