SCHEMBL505528

SCHEMBL505528

COc1cc(-c2ccccc2)ccc1C=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
ERN1 O75460 12/20 0.55
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29869842 1.00 ALDH1A1 (0.58) ALDH1A1ERN1KDM4ENPC1POLB
SCHEMBL32670810 0.91 ALDH1A1 (0.68) ALDH1A1ERN1KDM4ENPC1POLB
SCHEMBL11871188 0.91 ALDH1A1 (0.68) ALDH1A1ERN1KDM4ENPC1POLB
SCHEMBL30297198 0.87 ALDH1A1 (0.63) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL4600135 0.86 ALDH1A1 (0.62) ALDH1A1ERN1KDM4EMEN1MAPT
SCHEMBL5734790 0.86 ALDH1A1 (0.58) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL5736548 0.85 ERN1 (0.69) ALDH1A1ERN1L3MBTL1
SCHEMBL28656920 0.85 CYP1A1 (0.46) ALDH1A1ERN1KDM4ENPC1RAB9A
SCHEMBL5735288 0.84 ALDH1A1 (0.56) ALDH1A1ERN1KDM4EMAPTTSHR
SCHEMBL5737336 0.84 ERN1 (0.68) ALDH1A1ERN1KDM4ETSHRTDP1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521426-B Imine-linked microporous covalent organic framework material, preparation method and application thereof 通化师范学院 2024-02-09 CN claimed
CN-115521426-A Imine-linked microporous covalent organic framework material, preparation method and application thereof 通化师范学院 2022-12-27 CN claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US claimed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 EP claimed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN claimed
CN-109956944-A Western acridine compound and preparation method thereof in a kind of polysubstituted pyrrole 复旦大学 2019-07-02 CN claimed
WO-2019036507-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE uBiome, Inc. (US) 2019-02-21 WO claimed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US claimed
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
CN-115521426-B Imine-linked microporous covalent organic framework material, preparation method and application thereof 通化师范学院 2024-02-09 CN disclosed
CN-117430570-A Rhodamine acetic acid compound, and pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-01-23 CN disclosed
CN-115521426-A Imine-linked microporous covalent organic framework material, preparation method and application thereof 通化师范学院 2022-12-27 CN disclosed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US disclosed
US-20030083361-A1 Naphtho(1,2-d)imidazole derivatives; treating thrombocytopenia SMITHKLINE BEECHAM CORPORATION 2003-05-01 US disclosed
EP-1244446-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1244446-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2001039773-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-07 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 (3 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-20030083361-A1 Naphtho(1,2-d)imidazole derivatives; treating thrombocytopenia MPL, THPO, TPO ALDH1A1 2193/4885ERN1 2498/4885KDM4E 4286/4885
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT ALDH1A1 988/4885ERN1 2390/4885KDM4E 733/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT ALDH1A1 959/4885ERN1 3096/4885KDM4E 1224/4885

“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.