SCHEMBL617039

SCHEMBL617039

COc1ccc(C)cc1C(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.54
CTSA P10619 12/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL30232579 1.00 KMT2A (0.54) KMT2AGAACTSAL3MBTL1ALDH1A1
SCHEMBL9224006 0.89 KMT2A (0.52) KMT2AGAACTSAL3MBTL1ALDH1A1
SCHEMBL2789512 0.89 KMT2A (0.54) KMT2AGAAL3MBTL1ALDH1A1MAPT
SCHEMBL9222644 0.85 POLB (0.55) KMT2ACTSAL3MBTL1ALDH1A1MAPT
SCHEMBL9228033 0.84 NPSR1 (0.54) CTSAL3MBTL1ALDH1A1MAPTHTT
SCHEMBL9222660 0.84 KMT2A (0.50) KMT2AGAAL3MBTL1ALDH1A1MAPT
SCHEMBL1990348 0.84 PTGER1 (0.51) KMT2AGAACTSAL3MBTL1MAPT
SCHEMBL1990350 0.84 PTGER1 (0.51) KMT2AGAACTSAL3MBTL1MAPT
SCHEMBL5198568 0.83 NPSR1 (0.47) KMT2AGAACTSAL3MBTL1ALDH1A1
SCHEMBL13196108 0.83 KMT2A (0.48) KMT2AGAACTSAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010092500-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-08-19 WO claimed
WO-2010046801-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-04-29 WO claimed
US-20120041235-A1 PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-02-16 US disclosed
EP-2398765-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF Pharmathen S.A. (GR) 2011-12-28 EP disclosed
WO-2010046801-A3 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2011-04-21 WO disclosed
WO-2010094292-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2010-08-26 WO disclosed
WO-2010092500-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-08-19 WO disclosed
WO-2010092500-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-08-19 WO disclosed
WO-2010046801-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-04-29 WO disclosed
WO-2010046801-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-04-29 WO disclosed
WO-2010046801-A2 A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE ALEMBIC LIMITED (IN) 2010-04-29 WO disclosed
US-7358399-B2 Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine CHEMI SPA (IT) 2008-04-15 US disclosed
US-20060281805-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-14 US disclosed
EP-1618091-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-01-25 EP disclosed
WO-2004089898-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 WO disclosed
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP 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-20120041235-A1 PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PAH, UGT1A7, MLN KMT2A 4050/4885GAA 1407/4885CTSA 2909/4885
US-20060281805-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KMT2A 3238/4885GAA 2894/4885CTSA 2989/4885

“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.