SCHEMBL4837693

SCHEMBL4837693

Cc1ccc(OCc2ccccc2)c(-c2cccc(CCCO)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
PTGER1 P34995 7/20 0.46
PTGER4 P35408 5/20 0.46
PTGER3 P43115 5/20 0.46
PTGER2 P43116 5/20 0.46
C5AR1 P21730 4/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CYP2C9 P11712 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL4838903 0.91 PTGDR2 (0.49) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL27794249 0.86 PTGER1 (0.59) LTA4HEPHX2PTGER1PTGER4PTGER3
SCHEMBL1355002 0.85 PTGDR2 (0.52) PTGDR2LTA4HEPHX2PTGER1PTGER4
SCHEMBL1672699 0.85 HTR7 (0.48) PTGDR2CYP4F2CYP4A11FFAR1SYK
SCHEMBL3997102 0.84 FFAR4 (0.64) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL12986211 0.81 PTGDR2 (0.51) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL6721718 0.78 HTR7 (0.52) PTGDR2FFAR1
SCHEMBL9221452 0.77 FFAR1 (0.48) LTA4HEPHX2PTGER1PTGER4PTGER3
SCHEMBL9229536 0.76 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL19194585 0.76 LTA4H (0.64) LTA4HEPHX2C5AR1CYP4F2CYP4A11

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 PTGDR2 332/4885LTA4H 1004/4885EPHX2 1904/4885
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 PTGDR2 311/4885LTA4H 1692/4885EPHX2 1790/4885

“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.