SCHEMBL13380707

SCHEMBL13380707

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 3/20 0.47
DNM1 Q05193 2/20 0.46
POLB P06746 2/20 0.38
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TRPA1 O75762 3/20 0.36
HPGD P15428 1/20 0.35
CXCR3 P49682 1/20 0.35
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL13592680 1.00 KDM4E (0.54) KDM4EALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4650870 1.00 KDM4E (0.54) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL12938337 0.98 KDM4E (0.50) KDM4EALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL27492797 0.91 KDM4E (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL542557 0.89 ALDH1A1 (0.47) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL544890 0.89 KDM4E (0.45) KDM4EALDH1A1TDP1MEN1KMT2A
Water SCHEMBL30365140 0.87 KDM4E (0.44) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL6878412 0.87 KDM4E (0.44) KDM4EALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL6442683 0.86 ALDH1A1 (0.52) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL544197 0.85 MAPT (0.47) KDM4EALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081844-A1 POLYCATIONIC ORGANIC COMPOUNDS PNC BANK, NATIONAL ASSOCIATION 2010-04-01 US disclosed
US-7632409-B2 Cation-exchange displacement chromatography process and cationic organic compounds for use as displacer compounds in cation-exchange displacement chromatography process SACHEM, INC. (US) 2009-12-15 US disclosed
US-7632409-B2 Cation-exchange displacement chromatography process and cationic organic compounds for use as displacer compounds in cation-exchange displacement chromatography process SACHEM, INC. (US) 2009-12-15 US disclosed
WO-2007053235-A1 CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND CATIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. (US) 2007-05-10 WO disclosed
US-20070102363-A1 CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND CATIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. 2007-05-10 US disclosed
US-20070102363-A1 CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND CATIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN CATION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. 2007-05-10 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 (1 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-20100081844-A1 POLYCATIONIC ORGANIC COMPOUNDS OR10J3, ORC3, CCNY KDM4E 2860/4885ALDH1A1 2824/4885TDP1 4251/4885

“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.