SCHEMBL675742

SCHEMBL675742

O=C(O)C[CH]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
MAOB P27338 1/20 0.48
TOP1 P11387 1/20 0.47
PAM P19021 3/20 0.47
KEAP1 Q14145 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL27630839 0.83 IDO1 (0.45) AKR1B1MAOBTOP1CES2CES1
SCHEMBL1515531 0.81 FFAR1 (0.43) SMN1; SMN2FFAR1
SCHEMBL531475 0.80 MAOB (0.65) AKR1B1MAOBTOP1PAMKEAP1
SCHEMBL531474 0.80 MAOB (0.65) AKR1B1MAOBTOP1PAMKEAP1
SCHEMBL17667746 0.79 HSD11B1 (0.42) AKR1B1MAOBTOP1KEAP1CES2
SCHEMBL1927794 0.79 HDAC8 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL6341882 0.79 MAOB (0.41) AKR1B1MAOBTOP1KEAP1CES2
SCHEMBL8594687 0.78 TOP1 (0.58) AKR1B1MAOBTOP1KEAP1CES2
SCHEMBL74275 0.77 MAOB (0.67) MAOBSMN1; SMN2CA1CA2ARG2
Allylbenzene SCHEMBL28153534 0.77 AKR1B1 (0.45) AKR1B1MAOBTOP1PAMKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074387-B2 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AG (DE) 2006-07-11 US claimed
US-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-6565830-B1 Contrast agent for imaging SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-20 US claimed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US claimed
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US claimed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US claimed
EP-0450742-B1 DTPA-Monoamids, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-07-06 EP claimed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
EP-2328578-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION Emory University (US) 2011-06-08 EP disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 WO disclosed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US disclosed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 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 (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-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SLC43A1, HRH4, ACSL6 AKR1B1 986/4885MAOB 1117/4885TOP1 3737/4885
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA AKR1B1 2676/4885MAOB 2046/4885TOP1 433/4885

“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.