SCHEMBL544890

SCHEMBL544890

C[N+](C)(Cc1ccccc1)CC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DNM1 Q05193 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
TRPA1 O75762 3/20 0.40
TSHR P16473 1/20 0.37
POLB P06746 2/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
LMNA P02545 1/20 0.35

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
Water SCHEMBL30365140 0.98 KDM4E (0.44) KDM4EALDH1A1TDP1DNM1MEN1
Hydrochloric Acid SCHEMBL27492797 0.98 KDM4E (0.48) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL12938337 0.90 KDM4E (0.50) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL13592680 0.89 KDM4E (0.54) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL13380707 0.89 KDM4E (0.54) KDM4EALDH1A1TDP1DNM1MEN1
Hydrochloric Acid SCHEMBL4650870 0.89 KDM4E (0.54) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL6878412 0.84 KDM4E (0.44) KDM4EALDH1A1TDP1DNM1MEN1
Hydrochloric Acid SCHEMBL542557 0.82 ALDH1A1 (0.47) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL544197 0.82 MAPT (0.47) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL2349990 0.81 DNM1 (0.50) KDM4EALDH1A1TDP1DNM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165097-B1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2024-03-20 EP disclosed
EP-4165097-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2023-04-19 EP disclosed
US-9650595-B2 Quaternary ammonium hydroxides SACHEM, INC. (US) 2017-05-16 US disclosed
US-9650595-B2 Quaternary ammonium hydroxides SACHEM, INC. (US) 2017-05-16 US disclosed
US-20150329475-A1 QUATERNARY AMMONIUM HYDROXIDES SACHEM, INC. 2015-11-19 US disclosed
US-20150329475-A1 QUATERNARY AMMONIUM HYDROXIDES SACHEM, INC. 2015-11-19 US disclosed
US-9090859-B2 Quaternary ammonium hydroxides SACHEM, INC. (US) 2015-07-28 US disclosed
US-20130261039-A1 QUATERNARY AMMONIUM HYDROXIDES SACHEM, INC. (US) 2013-10-03 US disclosed
US-20130261039-A1 QUATERNARY AMMONIUM HYDROXIDES SACHEM, INC. (US) 2013-10-03 US disclosed
US-20120295204-A1 PROCESSING METHOD OF LITHOGRAPHIC PRINTING PLATE PREURSOR FUJIFILM CORPORATION (JP) 2012-11-22 US disclosed
US-20090148793-A1 PROCESSING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-06-11 US disclosed
US-20090148793-A1 PROCESSING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-06-11 US disclosed
US-20090148792-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-06-11 US disclosed
US-20080268372-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-20080268372-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-20080261153-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-20080261153-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 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 (4 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 KDM4E 3284/4885ALDH1A1 2165/4885TDP1 4134/4885
US-20150329475-A1 QUATERNARY AMMONIUM HYDROXIDES ASPH, AQP1, ATP1A2 KDM4E 1030/4885ALDH1A1 1592/4885TDP1 1243/4885
US-20130261039-A1 QUATERNARY AMMONIUM HYDROXIDES ASPH, ASNS, AQP1 KDM4E 783/4885ALDH1A1 1872/4885TDP1 1293/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 KDM4E 1627/4885ALDH1A1 680/4885TDP1 2552/4885

“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.