SCHEMBL1666944

SCHEMBL1666944

Cc1ccccc1C(C(=O)O)C(C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM1 Q13255 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MYC P01106 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL28459728 0.86 CYP2D6 (0.50) ACP3CYP2D6ALDH1A1ESR1LMNA
SCHEMBL7821360 0.85 CYP2D6 (0.45) ACP3CYP2D6ALDH1A1ESR1LMNA
SCHEMBL1669592 0.80 CYP1A2 (0.47) ACP3CYP2D6ALDH1A1LMNAMEN1
SCHEMBL1667434 0.80 CYP2D6 (0.41) CYP2D6ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL1667056 0.80 GAA (0.45) CYP2D6ALDH1A1LMNAHIF1AMEN1
Tartaric Acid SCHEMBL30492225 0.80 LMNA (0.46) ACP3ALDH1A1ESR1SLC1A3SLC1A2
SCHEMBL3611200 0.79 GRM1 (0.58) ACP3ALDH1A1ESR1SLC1A3SLC1A2
SCHEMBL3611197 0.79 GRM1 (0.58) ACP3ALDH1A1ESR1SLC1A3SLC1A2
SCHEMBL29748155 0.79 GRM1 (0.58) ACP3ALDH1A1ESR1SLC1A3SLC1A2
SCHEMBL29747857 0.79 GRM1 (0.58) ACP3ALDH1A1ESR1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038469-A1 SUPPRESSIVE AGENTS PRINCE HENRY'S INSTITUTE OF MEDICAL RESEARCH (AU) 2011-04-07 WO disclosed
WO-2010088729-A1 COMPOSITIONS AND USES THEREFOR UNIVERSITY OF TASMANIA THROUGH THE MENZIES RESEARCH INSTITUTE (AU) 2010-08-12 WO disclosed
WO-2010022444-A1 METHODS AND AGENTS FOR MODULATING KINASE SIGNALLING PATHWAYS THROUGH MODULATION OF MIXED-LINEAGE KINASE DOMAIN-LIKE PROTEIN (MLKL) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-03-04 WO disclosed
US-20090215669-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2009-08-27 US disclosed
WO-2009021289-A1 POTASSIUM CHANNEL INHIBITORS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-02-19 WO disclosed
EP-1962882-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES Dia-B Tech Limited (AU) 2008-09-03 EP disclosed
WO-2008025069-A1 METHODS OF MODULATING CELLULAR ACTIVITY AND COMPOSITIONS THEREFOR THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-03-06 WO disclosed
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-08-23 US disclosed
WO-2007059569-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2007-05-31 WO disclosed
EP-1781689-A1 CONJUGATES AND THERAPEUTIC USES THEREOF The Walter and Eliza Hall Institute of Medical Research (AU) 2007-05-09 EP disclosed
WO-2007025332-A1 A PEPTIDE AND ZINC ION COMPOSITION FOR TREATING DIABETES AND ENHANCING IMMUNE FUNCTION DIA-B TECH LIMITED (AU) 2007-03-08 WO disclosed
US-20070032417-A1 Peptides and therapeutic uses thereof WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-02-08 US disclosed
WO-2006000034-A1 CONJUGATES AND THERAPEUTIC USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-05 WO disclosed
WO-2004058804-A1 PEPTIDES AND THERAPEUTIC USES THEREOF WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2004-07-15 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-20070032417-A1 Peptides and therapeutic uses thereof BCL2, BAX, BCL2L13 ACP3 1539/4885CYP2D6 4752/4885ALDH1A1 4834/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD ACP3 2111/4885CYP2D6 4288/4885ALDH1A1 4519/4885

“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.