SCHEMBL5672183

SCHEMBL5672183

[CH2]CCOc1cc(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TDP1 Q9NUW8 3/20 0.51
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA1A P35348 1/20 0.51
PPARG P37231 1/20 0.51
HTR2B P41595 1/20 0.51
PPARA Q07869 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5929495 0.87 TSHR (0.67) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL5266458 0.85 TSHR (0.70) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL7314937 0.84 SMN1; SMN2 (0.54) TSHRCYP2C9SMN1; SMN2POLBHPGD
SCHEMBL293027 0.83 TSHR (0.53) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL172302 0.82 TSHR (0.61) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL6480719 0.81 MAPT (0.65) TSHRTDP1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL6475127 0.81 L3MBTL1 (0.65) TDP1CYP2C9SMN1; SMN2CYP1A2POLB
SCHEMBL10241943 0.80 TSHR (0.64) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL516010 0.80 TSHR (0.64) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL6743557 0.80 TSHR (0.59) TSHRTDP1CYP2C9SMN1; SMN2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1276730-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYx Therapeutics (US) 2003-01-22 EP claimed
WO-2001081328-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYX THERAPEUTICS (US) 2001-11-01 WO claimed
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 2074/4885TDP1 1800/4885CYP2C9 611/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885TDP1 1800/4885CYP2C9 611/4885
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885TDP1 1800/4885CYP2C9 611/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885TDP1 1800/4885CYP2C9 611/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885TDP1 1800/4885CYP2C9 611/4885
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TSHR 2074/4885TDP1 1800/4885CYP2C9 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.