SCHEMBL1245208

SCHEMBL1245208

COc1cc(C2OCCCCO2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.60
PPARD Q03181 3/20 0.60
ALOX5 P09917 1/20 0.60
PTPN1 P18031 1/20 0.60
CYP3A4 P08684 2/20 0.55
CA2 P00918 2/20 0.54
NR3C1 P04150 2/20 0.54
QDPR P09417 2/20 0.54
TSHR P16473 1/20 0.54
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.46

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
SCHEMBL356702 0.98 PPARG (0.59) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL29664322 0.97 PPARG (0.60) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL3690573 0.93 PPARG (0.64) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL29682746 0.83 PPARG (0.59) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL28764968 0.83 PPARD (0.63) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL10495514 0.83 PPARG (0.59) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL18555689 0.81 ALDH1A1 (0.55) NR3C1ALDH1A1GAA
SCHEMBL31546100 0.81 ALOX5 (0.57) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL11588846 0.81 PTPN1 (0.57) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL30474578 0.81 PTPN1 (0.57) PPARGPPARDALOX5PTPN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592621-B2 Precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease SYMRISE AG (DE) 2013-11-26 US claimed
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE SYMRISE GMBH CO. KG (DE) 2011-02-24 US claimed
EP-2292224-B1 Derivatives of lactiosole for preventing or treating diabetes SYMRISE AG (DE) 2018-03-07 EP disclosed
US-20160168315-A1 MODIFIED OLIGOESTERS AND MANUFACTURE METHODS OF THE OLIGOESTERS ANHIDRIDOS Y DERIVADOS DE COLOMBIA S.A. ANDERCOL (CO) 2016-06-16 US disclosed
US-8592621-B2 Precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease SYMRISE AG (DE) 2013-11-26 US disclosed
EP-2292224-A1 Precursor compounds of sweet receptor antagonists for preventing or treating diabetes Symrise AG (DE) 2011-03-09 EP disclosed
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE SYMRISE GMBH CO. KG (DE) 2011-02-24 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-20160168315-A1 MODIFIED OLIGOESTERS AND MANUFACTURE METHODS OF THE OLIGOESTERS OSTC, OSGEP, PUF60 PPARG 2563/4885PPARD 2346/4885ALOX5 117/4885
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE TAS1R2, TAS2R5, TAS2R1 PPARG 79/4885PPARD 127/4885ALOX5 1702/4885

“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.