SCHEMBL5673008

SCHEMBL5673008

Cc1ccc(C)c(OCCCC(C)(C)[C]=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.63
▸ PPARA Q07869 3/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2C8 P10632 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ TTR P02766 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CHRM1 P11229 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ PPARG P37231 1/20 0.63
▸ HTR2B P41595 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ SLCO1B3 Q9NPD5 1/20 0.63
▸ CISD1 Q9NZ45 1/20 0.63
▸ SLCO1B1 Q9Y6L6 1/20 0.63
▸ NR1H4 Q96RI1 1/20 0.48
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL12203843 0.82 TSHR (0.68) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL13293853 0.81 TSHR (0.55) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL4542705 0.79 TSHR (0.63) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL18885323 0.78 TSHR (0.62) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL17299694 0.78 TSHR (0.62) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5266458 0.78 TSHR (0.70) TSHRPPARACYP2C9CYP2C8TDP1
Gemfibrozil SCHEMBL4813 0.78 PPARA (1.00) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL9481043 0.78 PPARA (0.79) TSHRPPARACYP2C9CYP2C8TDP1
Gemfibrozil SCHEMBL20770039 0.78 PPARA (1.00) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL12690944 0.78 PPARA (0.79) TSHRPPARACYP2C9CYP2C8TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022722-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2006-04-04 — — US disclosed
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2006-03-02 — — US disclosed
US-6958355-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2005-10-25 — — US disclosed
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2005-04-07 — — US disclosed
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2005-02-17 — — US disclosed
US-6768008-B2 FOR THERAPY ARYX THERAPEUTICS 2004-07-27 — — US disclosed
EP-1430039-A2 ARYL DERIVATIVES FOR THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS Aryx Therapeutics (US) 2004-06-23 — — EP disclosed
US-6680387-B2 USING THIAZOLIDINONE COMPOUND ARYX THERAPEUTICS 2004-01-20 — — US disclosed
US-20030236227-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS 2003-12-25 — — US disclosed
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-04-03 — — US disclosed
WO-2003024943-A2 ARYL DERIVATIVES FOR THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ARYX THERAPEUTICS (US) 2003-03-27 — — WO disclosed
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-02-06 — — US disclosed
EP-1276730-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYx Therapeutics (US) 2003-01-22 — — EP disclosed
WO-2001081328-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYX THERAPEUTICS (US) 2001-11-01 — — 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 (6 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-20030236227-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885PPARA 305/4885CYP2C9 611/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885PPARA 305/4885CYP2C9 611/4885
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885PPARA 305/4885CYP2C9 611/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885PPARA 305/4885CYP2C9 611/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885PPARA 305/4885CYP2C9 611/4885
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885PPARA 305/4885CYP2C9 611/4885

“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.

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