SCHEMBL1990348

SCHEMBL1990348

Cc1ccc(OCc2ccccc2)c([C@H](CC(=O)O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.51
PTGER4 P35408 4/20 0.51
PTGER3 P43115 4/20 0.51
PTGER2 P43116 4/20 0.51
FFAR4 Q5NUL3 2/20 0.48
MRGPRX4 Q96LA9 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.45
LRRK2 Q5S007 1/20 0.44
FFAR1 O14842 1/20 0.44
CTSA P10619 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1990350 1.00 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL1995519 0.93 KMT2A (0.45) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL1989522 0.90 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL1989523 0.90 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL12121776 0.89 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL4832151 0.89 GAA (0.48) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL2887009 0.86 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL12986736 0.86 KMT2A (0.47) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL13257883 0.86 KMT2A (0.47) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL1991102 0.85 KMT2A (0.43) PTGER1PTGER4PTGER3PTGER2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 US disclosed
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 US 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

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-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF ADRB3, CHRM3, QDPR PTGER1 728/4885PTGER4 457/4885PTGER3 184/4885

“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.