SCHEMBL26941571

SCHEMBL26941571

C=C(CC(=O)OC1(c2ccc(C)cc2)CCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DRD3 P35462 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR2C P28335 1/20 0.31

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
SCHEMBL26958140 0.97 MAPT (0.38) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL26958143 0.94 OPRM1 (0.38) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL26941574 0.88 OPRM1 (0.35) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL24397743 0.86 DRD2 (0.39) SMN1; SMN2ALDH1A1MAPTDRD3HSD11B1
SCHEMBL24398057 0.86 MAPK1 (0.36) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL26941609 0.86 ALDH1A1 (0.37) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL26941586 0.85 OPRM1 (0.35) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL24397839 0.84 MAPT (0.38) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL24397915 0.84 OPRM1 (0.33) OPRM1OPRD1OPRK1DRD3
SCHEMBL26941636 0.84 MAPT (0.39) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 — — US disclosed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 — — 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 (2 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-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 OPRM1 4344/4885OPRD1 3272/4885OPRK1 3019/4885
US-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 OPRM1 4873/4885OPRD1 4738/4885OPRK1 4809/4885

“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.

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