SCHEMBL26941609

SCHEMBL26941609

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OPRM1 P35372 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ OPRD1 P41143 3/20 0.31
▸ OPRK1 P41145 3/20 0.31
▸ DRD3 P35462 2/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL26941636 0.98 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2OPRM1L3MBTL1
SCHEMBL26941610 0.88 MAPK1 (0.36) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL26941611 0.88 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNADRD3
SCHEMBL26941574 0.88 OPRM1 (0.35) ALDH1A1MAPTSMN1; SMN2OPRM1TDP1
SCHEMBL26941643 0.87 OPRM1 (0.34) ALDH1A1MAPTSMN1; SMN2OPRM1L3MBTL1
SCHEMBL26941571 0.86 OPRM1 (0.36) ALDH1A1MAPTSMN1; SMN2OPRM1L3MBTL1
SCHEMBL24393970 0.85 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2OPRM1L3MBTL1
SCHEMBL26942730 0.85 PPARD (0.36) MAPTLMNAPTGDR2
SCHEMBL24394153 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL26929241 0.85 PDE2A (0.31) —

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-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 (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-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 ALDH1A1 28/4885MAPT 3634/4885SMN1; SMN2 3304/4885

“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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