SCHEMBL4840135

SCHEMBL4840135

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.49
PTGER4 P35408 3/20 0.49
PTGER3 P43115 3/20 0.49
PTGER2 P43116 3/20 0.49
MRGPRX4 Q96LA9 5/20 0.47
FFAR4 Q5NUL3 3/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
S1PR1 P21453 1/20 0.43
LRRK2 Q5S007 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1783154 0.87 PTGDR2 (0.51) PTGER1FFAR4RXRARXRBRXRG
SCHEMBL4619291 0.81 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL3237142 0.79 MRGPRX4 (0.54) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL14453588 0.74 MRGPRX4 (0.50) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL9228312 0.74 SLC13A5 (0.47) SMN1; SMN2MAPTL3MBTL1PTGDR2
Fumaric Acid SCHEMBL14696981 0.73 PTGER4 (0.48) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL8459307 0.72 RXRA (0.69) MRGPRX4RXRARXRBRXRGSMN1; SMN2
SCHEMBL1647381 0.72 FOLH1 (0.67) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL1646770 0.71 LRRK2 (0.56) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL9228929 0.71 PTGDR2 (0.44) SMN1; SMN2MAPTCYP2C19TDP1L3MBTL1

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 PTGER1 2052/4885PTGER4 1712/4885PTGER3 890/4885
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 PTGER1 2183/4885PTGER4 1117/4885PTGER3 316/4885

“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.