SCHEMBL27052248

SCHEMBL27052248

O=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1cccnc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ APP P05067 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HCAR3 P49019 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL27052589 0.97 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AATM
SCHEMBL27059580 0.97 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AATM
SCHEMBL27052510 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AATMLMNA
SCHEMBL27105745 0.82 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL27052249 0.82 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL27052939 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AATMLMNA
SCHEMBL27052161 0.82 CHRNA7 (0.50) KMT2AATMLMNAGAA
Inositol Niacinate SCHEMBL122591 0.82 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AATMLMNA
Inositol Niacinate SCHEMBL122590 0.82 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AATMLMNA
Inositol Niacinate SCHEMBL13557040 0.82 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067763-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — 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-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 ALDH1A1 650/4885SMN1; SMN2 3906/4885MAPT 4458/4885

“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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