SCHEMBL8107900

SCHEMBL8107900

O=C(CCN1CCCC1)c1ccc2c(c1)OCCO2

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.95
MAPT P10636 6/20 0.95
HSD17B10 Q99714 2/20 0.95
HTT P42858 5/20 0.82
HPGD P15428 4/20 0.82
TP53 P04637 3/20 0.82
MAOB P27338 2/20 0.82
ALDH3A1 P30838 1/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
LMNA P02545 5/20 0.73
TAAR1 Q96RJ0 2/20 0.73
HIF1A Q16665 1/20 0.73
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
USP2 O75604 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MAPK1 P28482 1/20 0.65
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL29386543 1.00 ALDH1A1 (0.95) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL668026 0.99 ALDH1A1 (0.97) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL15563003 0.94 ALDH1A1 (0.90) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL12123672 0.90 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL14578168 0.83 ACHE (0.72) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL12123816 0.83 ALDH1A1 (0.87) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL653025 0.83 PKM (0.87) ALDH1A1HPGDPKMTSHRCTNNB1
SCHEMBL22651290 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL29773054 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL22638785 0.82 ALDH1A1 (0.97) ALDH1A1MAPTHSD17B10HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072398-B Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2024-06-11 CN disclosed
US-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-07-07 US disclosed
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
CN-114072398-A Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2022-02-18 CN disclosed
WO-2020224396-A1 COMPOUNDS INHIBITING TDG ACTIVITY 上海仕谱生物科技有限公司 2020-11-12 WO disclosed
WO-2020224396-A1 COMPOUNDS INHIBITING TDG ACTIVITY 上海仕谱生物科技有限公司 2020-11-12 WO disclosed
CN-111909138-A Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2020-11-10 CN disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO 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 3200/4885HSD17B10 49/4885

“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.