Sugi Predict

Sugi Predict / Compounds / SCHEMBL4064320

SCHEMBL4064320

SCHEMBL4064320

Cc1ccc(OCc2ccccc2)c(C(CCO)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 3/20 0.44
▸ PTGER4 P35408 3/20 0.44
▸ PTGER3 P43115 3/20 0.44
▸ PTGER2 P43116 3/20 0.44
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 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
SCHEMBL12121777 1.00 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL27485967 0.93 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL14196579 0.91 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL12121774 0.88 MAPT (0.43) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL14080326 0.88 MAPT (0.43) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL13219204 0.85 SGMS2 (0.43) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL12856629 0.84 CFD (0.39) LMNAALDH1A1SGMS2LIPECFD
SCHEMBL12293723 0.84 USP28 (0.52) PTGER1LMNASLC6A4ALDH1A1HTR7
SCHEMBL724619 0.84 USP28 (0.52) PTGER1LMNASLC6A4ALDH1A1HTR7
SCHEMBL615095 0.83 MAPT (0.46) MAPTLMNAESR1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 — — US claimed
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 claimed
EP-1701932-B1 TOLTERODINE, COMPOSITIONS AND USES THEREOF, AND PREPARATION OF THE SAME CIPLA LTD (IN) 2012-07-18 — — EP disclosed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 — — US disclosed
US-20100217034-A1 Process for the Preparation of Fesoterodine ACTAVIS GROUP PTC EHF (IS) 2010-08-26 — — US disclosed
US-7538249-B2 Tolterodine, compositions and uses thereof, and preparation of the same CIPLA LIMITED (IN) 2009-05-26 — — US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 — — US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 — — US disclosed
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-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 — — US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 — — US disclosed
US-20070142479-A1 Tolterodine, compositions and uses thereof, and preparation of the same CIPLA LIMITED (IN) 2007-06-21 — — US disclosed
EP-1701932-A1 TOLTERODINE, COMPOSITIONS AND USES THEREOF, AND PREPARATION OF THE SAME Cipla Ltd. (IN) 2006-09-20 — — EP 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
WO-2005061432-A1 TOLTERODINE, COMPOSITIONS AND USES THEREOF, AND PREPARATION OF THE SAME CIPLA LIMITED (IN) 2005-07-07 — — 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 (5 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-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS HPD, COMT, PNMT PTGER1 2634/4885PTGER4 1551/4885PTGER3 3531/4885
US-20100217034-A1 Process for the Preparation of Fesoterodine ADRB3, FES, QDPR PTGER1 3853/4885PTGER4 2829/4885PTGER3 1605/4885
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
US-20070142479-A1 Tolterodine, compositions and uses thereof, and preparation of the same ADRB3, ADRB2, ADRB1 PTGER1 1358/4885PTGER4 1125/4885PTGER3 589/4885

“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.