SCHEMBL55105

SCHEMBL55105

CC(C)(C(=O)O)c1ccc(CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
EPHX2 P34913 1/20 0.49
HRH3 Q9Y5N1 1/20 0.43
APP P05067 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KIF11 P52732 3/20 0.41
SLC13A5 Q86YT5 2/20 0.40
MAP4K4 O95819 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL3497043 0.84 MAPT (0.52) HRH3APPTSHRMAPTKMT2A
SCHEMBL992215 0.84 PPARA (0.57) PPARAPPARGHRH3APPTSHR
SCHEMBL127737 0.83 ALDH1A1 (0.52) HRH3SLC22A12MAPTKMT2AKIF11
SCHEMBL28340064 0.82 PPARA (0.56) PPARAPPARGHRH3APPTSHR
SCHEMBL479996 0.82 CES2 (0.46) PPARAPPARGHRH3APPTSHR
SCHEMBL28806244 0.82 ESR1 (0.52) HRH3APPMAPTKMT2ASLC13A5
SCHEMBL127736 0.82 HRH3 (0.43) PPARAPPARGEPHX2HRH3APP
SCHEMBL27511914 0.82 KDM4E (0.46) HRH3MAPTKMT2AKIF11BLM
SCHEMBL10975329 0.82 CA1 (0.44) PPARAPPARGHRH3APPMAPT
SCHEMBL7182175 0.82 RXRA (0.54) EPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129408-B2 Pharmaceutical composition for piperidinoalkanol compounds AVENTISUB II INC. (US) 2012-03-06 US disclosed
US-7671071-B2 Polymorphic Form XVI of fexofenadine hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-02 US disclosed
US-20100021547-A1 PHARMACEUTICAL COMPOSITION FOR PIPERIDINOALKANOL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2010-01-28 US disclosed
US-20090149497-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE TEVA PHARMACEUTICALS USA, INC. 2009-06-11 US disclosed
CN-100475775-C Highly pure bases of 3,3-diphenyl propylamine monoesters SANOL ARZNEI SCHWARZ GMBH (DE) 2009-04-08 CN disclosed
US-20090082398-A1 CRYSTALLINE FORMS OF FEXOFENADINE HYDROCHLORIDE AND PROCESSES FOR THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. 2009-03-26 US disclosed
US-20090054486-A1 POLYMORPHIC FORM XVI OF FEXOFENADINE HYDROCHLORIDE TEVA PHARMACEUTICALS USA, INC. 2009-02-26 US disclosed
US-20090012121-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. 2009-01-08 US disclosed
US-20090012301-A1 FEXOFENADINE CRYSTAL FORM AND PROCESSES FOR ITS PREPARATION THEREOF TEVA PHARMACEUTICALS USA, INC. 2009-01-08 US disclosed
CN-100441179-C Transdermal administration of (r)-3,3-diphenylpropylamine monoesters. SANOL ARZNEI SCHWARZ GMBH (DE) 2008-12-10 CN disclosed
US-20070249671-A1 PHARMACEUTICAL COMPOSITION FOR PIPERIDINOALKANOL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US disclosed
CN-1802345-A Highly pure bases of 3,3-diphenyl propylamine monoesters SANOL ARZNEI SCHWARZ GMBH (DE) 2006-07-12 CN disclosed
CN-1767820-A Transdermal administration of (r)-3,3-diphenylpropylamine monoesters. SANOL ARZNEI SCHWARZ GMBH (DE) 2006-05-03 CN 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 (7 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-20090012121-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE F5, CYP3A5, CYP4F8 PPARA 3747/4885PPARG 4019/4885EPHX2 278/4885
US-20090054486-A1 POLYMORPHIC FORM XVI OF FEXOFENADINE HYDROCHLORIDE UBE2V1, XDH, F5 PPARA 4399/4885PPARG 4347/4885EPHX2 3299/4885
US-20070249671-A1 PHARMACEUTICAL COMPOSITION FOR PIPERIDINOALKANOL COMPOUNDS PKD1, CFTR, PKD2 PPARA 340/4885PPARG 449/4885EPHX2 3551/4885
US-20090082398-A1 CRYSTALLINE FORMS OF FEXOFENADINE HYDROCHLORIDE AND PROCESSES FOR THEIR PREPARATION HRH2, CYP4F2, CYP4F3 PPARA 4273/4885PPARG 4241/4885EPHX2 668/4885
US-20090012301-A1 FEXOFENADINE CRYSTAL FORM AND PROCESSES FOR ITS PREPARATION THEREOF CYP4F3, CYP4F2, CYP2F1 PPARA 4092/4885PPARG 4379/4885EPHX2 669/4885
US-20090149497-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE F5, CYP3A5, CYP4F8 PPARA 3803/4885PPARG 4105/4885EPHX2 277/4885
US-20100021547-A1 PHARMACEUTICAL COMPOSITION FOR PIPERIDINOALKANOL COMPOUNDS PKD1, CFTR, PKD2 PPARA 340/4885PPARG 449/4885EPHX2 3551/4885

“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.