SCHEMBL29533755

SCHEMBL29533755

CC(C)(C)OC(=O)NCC1(O)CN(CCC(=O)c2ccc3c(c2)OCCO3)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ MAPT P10636 6/20 0.52
▸ HTT P42858 4/20 0.52
▸ TP53 P04637 4/20 0.52
▸ ALDH3A1 P30838 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 4/20 0.49
▸ USP2 O75604 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HPGD P15428 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CTNNB1 P35222 4/20 0.45
▸ WNT3A P56704 3/20 0.45
▸ MAOB P27338 1/20 0.44

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
SCHEMBL24606355 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHTTTP53ALDH3A1
SCHEMBL28472102 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHTTTP53ALDH3A1
SCHEMBL21770322 0.78 HPGD (0.55) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL13114817 0.72 ALDH1A1 (0.55) ALDH1A1HTTHPGDSMN1; SMN2RAB9A
SCHEMBL8107900 0.70 ALDH1A1 (0.95) ALDH1A1MAPTHTTTP53ALDH3A1
SCHEMBL31421218 0.70 HCRTR2 (0.40) ALDH1A1LMNAMAOBKDM4EGAA
SCHEMBL29386543 0.70 ALDH1A1 (0.95) ALDH1A1MAPTHTTTP53ALDH3A1
SCHEMBL10031397 0.69 KDM4E (0.55) ALDH1A1MAPTTP53LMNAHPGD
SCHEMBL668026 0.69 ALDH1A1 (0.97) ALDH1A1MAPTHTTTP53ALDH3A1
SCHEMBL12123672 0.69 ALDH1A1 (1.00) ALDH1A1MAPTHTTTP53ALDH3A1

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-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-07-07 — — US disclosed
EP-3971180-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-23 — — EP 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-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY TDO2, TFPI, PPIG ALDH1A1 1309/4885MAPT 3200/4885HTT 3382/4885

“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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