SCHEMBL669103

SCHEMBL669103

CCCC[P+](CCCC)(CCCC)CCCC.O=C(C=Cc1ccccc1)Oc1ccccc1C(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 2/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.40
HDAC3 O15379 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39

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
Cetylpyridinium SCHEMBL2369768 0.82 KMT2A (0.43) KMT2AALDH1A1ESR1ESR2KDM4E
Aspirin SCHEMBL23214416 0.80 PTGS2 (0.50) KMT2AALDH1A1ESR1KDM4EMEN1
Cinnamic Acid SCHEMBL669104 0.79 MAPT (0.48) KMT2AALDH1A1ESR1ESR2KDM4E
Salsalate SCHEMBL668243 0.76 KDM4E (0.52) KMT2AALDH1A1ESR1ESR2KDM4E
Phthalic Acid SCHEMBL5048545 0.75 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EMEN1RECQL
SCHEMBL3468301 0.75 CYP3A4 (0.44) KMT2AALDH1A1KDM4EMEN1RECQL
SCHEMBL12298543 0.75 KMT2A (0.61) KMT2AALDH1A1ESR1ESR2KDM4E
SCHEMBL8409939 0.73 KDM4E (0.75) KMT2AALDH1A1ESR1ESR2KDM4E
SCHEMBL11346488 0.72 KMT2A (0.56) KMT2AALDH1A1ESR1ESR2KDM4E
SCHEMBL11346489 0.72 KMT2A (0.56) KMT2AALDH1A1ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278134-B2 Dual functioning ionic liquids and salts thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-03-08 US disclosed
US-20130203602-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS DANMARKS TEKNISKE UNIVERSITET (DK) 2013-08-08 US disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 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 (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-20130203602-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS MIF, BMP2, BMP4 KMT2A 4409/4885ALDH1A1 2373/4885ESR1 624/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 KMT2A 4341/4885ALDH1A1 3146/4885ESR1 3861/4885

“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.