SCHEMBL5577016

SCHEMBL5577016

CN(C)CCCC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LTA4H P09960 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALOX5 P09917 1/20 0.51
EGFR P00533 2/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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 SCHEMBL4310487 0.98 LTA4H (0.53) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL247907 0.95 ALDH1A1 (0.53) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL19634437 0.94 ALDH1A1 (0.51) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL27629212 0.94 ALDH1A1 (0.51) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL13407447 0.90 ALDH1A1 (0.58) ALDH1A1LTA4HMAPK1L3MBTL1EGFR
SCHEMBL21846519 0.88 ALDH1A1 (0.51) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL19862467 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL10081340 0.86 LTA4H (0.44) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL21995253 0.84 ALDH1A1 (0.45) ALDH1A1LTA4HMAPK1L3MBTL1ALOX5
SCHEMBL8886811 0.84 ALOX5 (0.52) ALDH1A1MAPK1L3MBTL1ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEONE MEDICINES I GMBH (CH) 2026-04-30 US disclosed
EP-4183773-A1 ZWITTERIONIC REAGENTS Siemens Healthcare Diagnostics Inc. (US) 2023-05-24 EP disclosed
EP-2571487-B1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2023-01-04 EP disclosed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 US disclosed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 US disclosed
CN-114364690-A Novel radiolabeled CXCR4 targeting compounds for diagnosis and therapy 省卫生服务机构 2022-04-15 CN disclosed
EP-3956346-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY Provincial Health Services Authority (CA) 2022-02-23 EP disclosed
WO-2020210919-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-10-22 WO disclosed
WO-2020210919-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-10-22 WO disclosed
EP-3288658-B1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORP (US) 2020-08-26 EP disclosed
US-8697604-B2 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2014-04-15 US disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 EP disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 EP disclosed
US-20130065325-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-03-14 US disclosed
WO-2011146595-A2 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2011-11-24 WO disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
EP-1606623-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES Xzillion GmbH & CO.KG (DE) 2005-12-21 EP disclosed
WO-2004086050-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES XZILLION GMBH & CO. KG (DE) 2004-10-07 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-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY CXCR4, CXCR1, FPR1 ALDH1A1 3495/4885LTA4H 2888/4885MAPK1 1057/4885
US-20130065325-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ ALDH1A1 4381/4885LTA4H 1433/4885MAPK1 3180/4885
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF GUSB, PSMA6, CD44 ALDH1A1 516/4885LTA4H 2989/4885MAPK1 3791/4885

“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.