SCHEMBL855002

SCHEMBL855002

CCCCOC(=O)NCCN

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.67
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
Hydrochloric Acid SCHEMBL5487405 0.98 ACHE (0.65) ACHEEPHX1
SCHEMBL25051834 0.93 ACHE (0.73) ACHEEPHX1
SCHEMBL856878 0.91 ACHE (0.70) ACHE
SCHEMBL6269354 0.89 ACHE (0.68) ACHEEPHX1
SCHEMBL3902756 0.88 ACHE (0.59) ACHEALDH1A1
SCHEMBL7677452 0.87 ACHE (0.71) ACHEEPHX1
SCHEMBL4736241 0.87 ACHE (0.71) ACHEEPHX1
SCHEMBL6950987 0.87 ACHE (0.71) ACHEEPHX1
SCHEMBL721691 0.87 ACHE (0.71) ACHEEPHX1
SCHEMBL29991047 0.87 ACHE (0.71) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110000905-A A kind of heat-barrier material, hot runner plastic injection mould and Shooting Technique 蓝思科技(长沙)有限公司 2019-07-12 CN claimed
WO-2025264905-A1 CARBORANE-BASED BORON-ENRICHED PEG LINKERS FOR MAB LIGATION SYNTHESIS AND METHODS TAE LIFE SCIENCES LLC (US) 2025-12-26 WO disclosed
WO-2024206663-A1 REACTIVE CAPSID PROTEIN ASSOCIATED MOLECULES THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-10-03 WO disclosed
WO-2023135265-A1 MOLECULES TARGETING VIRAL RNA AND/OR VIRAL RNA-PROTEIN COMPLEXES FOR USE IN THE TREATMENT OF VIRAL INFECTIONS, IN PARTICULAR COVID-19 Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2023-07-20 WO disclosed
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 US disclosed
US-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 US disclosed
EP-4097116-A1 INTERCELLULAR AND INTRACELLULAR PROXIMITY-BASED LABELING COMPOSITIONS AND SYSTEMS The Trustees of Princeton University (US) 2022-12-07 EP disclosed
CN-112979509-B Trifluoromethanesulfonyl alkynamide compound and preparation method and application thereof 江西师范大学 2022-04-22 CN disclosed
CN-109906227-B 8, 9-dihydroimidazo [1,2-a ] pyrimido [5,4-e ] pyrimidin-5 (6H) -ones 上海瑛派药业有限公司 2022-03-11 CN disclosed
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2021-08-17 US disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997043289-A1 LARGE SYNTHETIC COMPOUNDS BASED ON ELECTRON DONOR AND ELECTRON ACCEPTOR INTERACTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-11-20 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed
EP-0788376-A2 CALIXARENE CONJUGATES USEFUL AS MRI AND CT DIAGNOSTIC IMAGING AGENTS MOLECULAR BIOSYSTEMS, INC. (US) 1997-08-13 EP disclosed
US-5581002-A BLOCKING WITH BUTYLDIMETHYLSILANYL CHLORIDE; ALKYLATION; OZONOLYZING WITH SODIUM HYPOCHLORITE; DEBLOCKING ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5559210-A STEROIDS AS IMMUNOGENS ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
WO-1996014878-A2 CALIXARENE CONJUGATES USEFUL AS MRI AND CT DIAGNOSTIC IMAGING AGENTS MOLECULAR BIOSYSTEMS, INC. (US) 1996-05-23 WO disclosed
EP-0712497-A1 REAGENTS AND METHODS FOR THE DETECTION AND QUANTIFICATION OF TESTOSTERONE IN FLUID SAMPLES Abbott Laboratories (US) 1996-05-22 EP disclosed
US-5491071-A LABELS; TEST KITS; IMMUNOASSAYS ABBOTT LABORATORIES (US) 1996-02-13 US disclosed
WO-1995004283-A1 REAGENTS AND METHODS FOR THE DETECTION AND QUANTIFICATION OF TESTOSTERONE IN FLUID SAMPLES ABBOTT LABORATORIES (US) 1995-02-09 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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND ZC3HAV1, ZC3HAV1L, IL5 ACHE 4829/4885EPHX1 3935/4885ALDH1A1 2801/4885
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ACHE 479/4885EPHX1 4100/4885ALDH1A1 2794/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB ACHE 731/4885EPHX1 3045/4885ALDH1A1 2734/4885

“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.