SCHEMBL18428330

SCHEMBL18428330

CC(C)(O)C(C)(C)OBc1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ HTR2A P28223 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
SCHEMBL21125143 0.87 HDAC8 (0.39) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL20962289 0.85 — —
SCHEMBL18428342 0.80 PTGS1 (0.35) CES2MGLL
SCHEMBL20669689 0.79 — —
SCHEMBL21698491 0.78 NOTUM (0.42) MAPT
SCHEMBL12831961 0.78 CYP3A4 (0.35) MAPK1TSHRALDH1A1MAOB
SCHEMBL18540386 0.78 NPC1 (0.32) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL23712501 0.77 TSHR (0.33) MAPK1TSHR
SCHEMBL18540384 0.76 — —
SCHEMBL19120255 0.76 MGLL (0.33) MGLLMAPTMEN1KMT2A

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
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 — — US disclosed
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 — — EP disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 — — US disclosed
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-09-25 — — US disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 — — EP disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 — — 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 (4 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG L3MBTL1 1520/4885CES2 3698/4885MGLL 3755/4885
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof PTGES, PTGS1, PTGIS L3MBTL1 4383/4885CES2 667/4885MGLL 71/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG L3MBTL1 1520/4885CES2 3698/4885MGLL 3755/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS L3MBTL1 4383/4885CES2 667/4885MGLL 71/4885

“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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