SCHEMBL4840143

SCHEMBL4840143

Cc1ccc(OCc2ccccc2)c(C(c2ccccc2)C(C)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
PTGER1 P34995 4/20 0.46
PTGER4 P35408 3/20 0.46
PTGER3 P43115 3/20 0.46
PTGER2 P43116 3/20 0.46
MRGPRX4 Q96LA9 3/20 0.45
FFAR4 Q5NUL3 1/20 0.43
LRRK2 Q5S007 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1783156 0.87 CCR5 (0.49) KEAP1NFE2L2PTGER1LRRK2ALDH1A1
SCHEMBL12121776 0.82 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL1990348 0.80 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL1990350 0.80 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL13957662 0.79 MAPT (0.50) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL4000311 0.79 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL1989522 0.78 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL1989523 0.78 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL4832151 0.77 GAA (0.48) KEAP1NFE2L2PTGER1PTGER4PTGER3
SCHEMBL13257883 0.77 KMT2A (0.47) KEAP1NFE2L2PTGER1PTGER4PTGER3

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-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol DR. REDDY'S LABORATORIES LIMITED (IN) 2006-05-04 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-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE ADRA2B, ADRB3, ADRB1 KEAP1 1954/4885NFE2L2 3453/4885PTGER1 2052/4885
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol ADRB3, UGT1A3, COMT KEAP1 2168/4885NFE2L2 2786/4885PTGER1 2183/4885

“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.