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Sugi Predict / Compounds / SCHEMBL21571685

SCHEMBL21571685

SCHEMBL21571685

CC(C)(C)OC(=O)C(C)(C)Oc1cc(Br)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ ERN1 O75460 2/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AAK1 Q2M2I8 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP2A6 P11509 2/20 0.31
▸ FBP1 P09467 1/20 0.31
▸ PRKDC P78527 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
SCHEMBL23111680 0.84 PTGDR2 (0.46) PTGDR2ERN1MAOAMAOBALDH1A1
SCHEMBL21571752 0.83 FBP1 (0.42) ERN1SMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL21571764 0.81 CYP2C19 (0.41) PTGDR2SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL23124802 0.80 AAK1 (0.41) PTGDR2MAOAMAOBNPC1RECQL
SCHEMBL23124788 0.80 FBP1 (0.41) PTGDR2NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL30093499 0.80 FBP1 (0.41) PTGDR2NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL21571734 0.79 PDE4B (0.36) ALDH1A1
SCHEMBL23124466 0.77 AAK1 (0.47) PTGDR2SMN1; SMN2AAK1ALDH1A1
SCHEMBL25470745 0.77 PTGDR2 (0.51) PTGDR2ERN1NPC1RAB9ASMN1; SMN2
SCHEMBL3038375 0.75 FBP1 (0.50) ERN1SMN1; SMN2ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332453-B2 MAGL inhibitors H. LUNDBECK A/S (DK) 2022-05-17 — — US disclosed
US-11214557-B2 MAGL inhibitors H. LUNDBECK A/S (DK) 2022-01-04 — — US disclosed
US-20210206735-A1 MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2021-07-08 — — US disclosed
CN-112088001-A MAGL inhibitors 隆德贝克拉荷亚研究中心有限公司 2020-12-15 — — CN disclosed
US-20200148653-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-05-14 — — US disclosed
US-10570106-B2 MAGL inhibitors LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-02-25 — — US disclosed
US-20190352273-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2019-11-21 — — 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 (6 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-20200148653-A1 MAGL INHIBITORS MAG, MAGI3, MGLL PTGDR2 1360/4885ERN1 3681/4885MAOA 2247/4885
US-20210206735-A1 MAGL INHIBITORS MAG, MAGI3, MGLL PTGDR2 1360/4885ERN1 3681/4885MAOA 2247/4885
US-11332453-B2 MAGL inhibitors MAG, MAGI3, MGLL PTGDR2 1360/4885ERN1 3681/4885MAOA 2247/4885
US-20190352273-A1 MAGL INHIBITORS MAG, MAGI3, MGLL PTGDR2 1360/4885ERN1 3681/4885MAOA 2247/4885
US-11214557-B2 MAGL inhibitors MAG, MAGI3, MGLL PTGDR2 1360/4885ERN1 3681/4885MAOA 2247/4885
US-10570106-B2 MAGL inhibitors MAG, MAGI3, MGLL PTGDR2 1360/4885ERN1 3681/4885MAOA 2247/4885

“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.