SCHEMBL29029216

SCHEMBL29029216

C=CC(OC(=O)C(C)(C)C)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.39
▸ TGM2 P21980 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PKM P14618 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NLRP1 Q9C000 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL29029202 0.85 ELANE (0.42) ELANEALDH1A1HTTATMLMNA
SCHEMBL28701229 0.81 ALDH1A1 (0.41) TGM2ALDH1A1SMN1; SMN2STAT3ACHE
SCHEMBL28381315 0.73 CHRNA7 (0.43) TGM2ALDH1A1SMN1; SMN2STAT3ACHE
SCHEMBL25553550 0.71 CHRNA7 (0.37) TGM2ALDH1A1STAT3ACHEMEN1
SCHEMBL8977935 0.69 TGM2 (0.38) TGM2ALDH1A1SMN1; SMN2STAT3PKM
SCHEMBL10458582 0.68 CYP2A6 (0.38) LMNATDP1
SCHEMBL29034776 0.67 TPMT (0.35) ALDH1A1CYP3A4
SCHEMBL27628648 0.67 CYP1A2 (0.44) TGM2ALDH1A1SMN1; SMN2ALOX5LMNA
SCHEMBL21294950 0.67 MAPT (0.41) ELANEALDH1A1HTTATMNPSR1
SCHEMBL61038 0.66 CYP3A4 (0.50) ALDH1A1LMNAHPGDMEN1KMT2A

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-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND NANKAI UNIVERSITY (CN) 2026-04-30 — — US disclosed
CN-116396211-B Method for preparing meta-chiral allyl substituted pyridine compound 南开大学 2024-10-01 — — CN disclosed
CN-116396211-A Method for preparing meta-chiral allyl substituted pyridine compound 南开大学 2023-07-07 — — CN 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-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND GAPVD1, TDO2, NOD1 ELANE 4346/4885TGM2 1295/4885ALDH1A1 1593/4885

“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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