SCHEMBL20136944

SCHEMBL20136944

Cc1ccc(Br)c(OCC(=O)OC(C)(C)C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SSTR4 P31391 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34

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
SCHEMBL20166916 0.81 PKM (0.46) KMT2AHSD17B10TSHRPTPN1MGLL
SCHEMBL27373585 0.80 L3MBTL1 (0.44) ALOX5APFEN1HPGDALDH1A1MEN1
SCHEMBL12145867 0.73 PKM (0.49) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL20136985 0.72 MGLL (0.62) ALDH1A1KDM4EPOLBMGLL
SCHEMBL25353767 0.71 SSTR4 (0.33) ALOX5APFEN1MEN1KMT2ASSTR4
SCHEMBL24908732 0.71 KDM4E (0.47) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL27034755 0.71 ALOX5AP (0.35) ALOX5APFEN1MEN1KMT2ASSTR4
SCHEMBL31045720 0.70 MTNR1A (0.48) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL4576504 0.70 PKM (0.64) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL25523238 0.70 ALOX5AP (0.36) ALOX5APFEN1HPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 — — CN disclosed
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 — — EP disclosed
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — US disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 — — WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 — — US disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 — — 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 (2 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL ALOX5AP 747/4885FEN1 4781/4885HPGD 2748/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL ALOX5AP 747/4885FEN1 4781/4885HPGD 2748/4885

“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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