SCHEMBL5087967

SCHEMBL5087967

C[N+]1(CC(=O)O)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.54
CTDSP1 Q9GZU7 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 6/20 0.41
APOBEC3G Q9HC16 6/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 4/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
PABPC1 P11940 1/20 0.37

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 SCHEMBL5085268 0.98 BBOX1 (0.52) BBOX1CTDSP1TSHRHTTALDH1A1
SCHEMBL170289 0.97 BBOX1 (0.56) BBOX1CTDSP1TSHRHTTALDH1A1
Hydrochloric Acid SCHEMBL5088036 0.95 BBOX1 (0.54) BBOX1CTDSP1TSHRHTTALDH1A1
SCHEMBL13627229 0.82 BBOX1 (0.47) BBOX1CTDSP1TSHRHTTALDH1A1
SCHEMBL13051491 0.80 BBOX1 (0.39) BBOX1CTDSP1TSHRHTTKDM4E
SCHEMBL13627429 0.79 BBOX1 (0.48) BBOX1CTDSP1TSHRHTTALDH1A1
Hydrochloric Acid SCHEMBL9055923 0.78 CTDSP1 (0.55) BBOX1CTDSP1TSHRHTTALDH1A1
SCHEMBL11204343 0.78 TSHR (0.50) BBOX1CTDSP1TSHRHTTALDH1A1
SCHEMBL439766 0.76 PABPC1 (0.46) BBOX1CTDSP1ALDH1A1KMT2AAPOBEC3A
SCHEMBL3505831 0.76 BBOX1 (0.73) BBOX1CTDSP1TSHRHTTALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12584190-B2 Methods for selective recovery of rare earth elements and metals from coal ash by ionic liquids GEORGIA TECH RESEARCH CORPORATION (US) 2026-03-24 US disclosed
US-20230357886-A1 Methods for Selective Recovery of Rare Earth Elements and Metals from Coal Ash by Ionic Liquids GEORGIA TECH RESEARCH CORPORATION 2023-11-09 US disclosed
EP-4077748-A1 METHODS FOR SELECTIVE RECOVERY OF RARE EARTH ELEMENTS AND METALS FROM COAL ASH BY IONIC LIQUIDS Georgia Tech Research Corporation (US) 2022-10-26 EP disclosed
US-10550108-B2 Poly(ADP-ribose) polymerase 1 inhibitors structurally unrelated to NAD INSTITUTE FOR CANCER RESEARCH (US) 2020-02-04 US disclosed
US-20170283402-A1 Poly(ADP-Ribose) Polymerase 1 Inhibitors Structurally Unrelated to NAD INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2017-10-05 US disclosed
EP-3200792-A2 POLY (ADP-RIBOSE) POLYMERASE 1 INHIBITORS STRUCTURALLY UNRELATED TO NAD The Institute for Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center (US) 2017-08-09 EP disclosed
WO-2016054237-A2 POLY (ADP-RIBOSE) POLYMERASE 1 INHIBITORS STRUCTURALLY UNRELATED TO NAD INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER (US) 2016-04-07 WO disclosed
EP-2236292-B1 Lithographic printing plate precursor and plate making method using the same FUJIFILM CORP (JP) 2012-12-12 EP disclosed
US-8304171-B2 Plate making method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-11-06 US disclosed
EP-2236292-A2 Lithographic printing plate precursor and plate making method thereof FUJIFILM Corporation (JP) 2010-10-06 EP disclosed
US-20100248142-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100055607-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-03-04 US disclosed
US-20090233222-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-7419934-B2 Reversible thermosensitive coloring material and reversible thermosensitive recording material using the reversible thermosensitive coloring material RICOH COMPANY LIMITED (JP) 2008-09-02 US disclosed
WO-2007147222-A9 NOVEL IONIC LIQUIDS UNIV LEUVEN KATH (BE) 2008-02-14 WO disclosed
WO-2007147222-A9 NOVEL IONIC LIQUIDS UNIV LEUVEN KATH (BE) 2008-02-14 WO disclosed
WO-2007147222-A2 NOVEL IONIC LIQUIDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-12-27 WO disclosed
WO-2007147222-A2 NOVEL IONIC LIQUIDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-12-27 WO disclosed
US-20070259782-A1 REVERSIBLE THERMOSENSITIVE COLORING MATERIAL AND REVERSIBLE THERMOSENSITIVE RECORDING MATERIAL USING THE REVERSIBLE THERMOSENSITIVE COLORING MATERIAL RICOH COMPANY, LIMITED (JP) 2007-11-08 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 (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-12584190-B2 Methods for selective recovery of rare earth elements and metals from coal ash by ionic liquids CA2, ASH2L, CA1 BBOX1 4883/4885CTDSP1 1113/4885TSHR 3483/4885
US-20170283402-A1 Poly(ADP-Ribose) Polymerase 1 Inhibitors Structurally Unrelated to NAD PARP1, PARP11, PARP14 BBOX1 1255/4885CTDSP1 242/4885TSHR 4419/4885
US-10550108-B2 Poly(ADP-ribose) polymerase 1 inhibitors structurally unrelated to NAD PARP1, PARP11, PARP14 BBOX1 1255/4885CTDSP1 242/4885TSHR 4419/4885

“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.