SCHEMBL40750

SCHEMBL40750

CC(C)(C)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
RXRA P19793 2/20 0.47
RXRB P28702 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1C3 P42330 1/20 0.46
CYP2C9 P11712 2/20 0.44
KMO O15229 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
STAT3 P40763 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44

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
SCHEMBL30163785 1.00 SLC7A5 (0.56) SLC7A5RXRARXRBCA12CA1
Terephthalic Acid SCHEMBL11412636 0.96 SLC7A5 (0.54) SLC7A5RXRARXRBCA12CA1
Ethylene SCHEMBL11411611 0.96 SLC7A5 (0.54) SLC7A5RXRARXRBCA12CA1
Hydrogen Peroxide SCHEMBL27146001 0.94 SLC7A5 (0.60) SLC7A5CA12CA1CA2CA9
Terephthalic Acid SCHEMBL11412970 0.93 SLC7A5 (0.51) SLC7A5RXRARXRBCA12CA1
SCHEMBL110296 0.92 SLC7A5 (0.58) SLC7A5CA12CA1CA2CA9
SCHEMBL28350987 0.90 SLC7A5 (0.56) SLC7A5CA12CA1CA2CA9
Water SCHEMBL28897664 0.90 SLC7A5 (0.56) SLC7A5CA12CA1CA2CA9
SCHEMBL9361329 0.89 SLC7A5 (0.50) SLC7A5RXRARXRBCA12CA1
SCHEMBL4762259 0.87 RXRA (0.46) SLC7A5RXRARXRBCA12CA1

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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802682-B1 MODIFIED COPOLYESTERS AND OPTICAL FILMS INCLUDING MODIFIED COPOLYESTERS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP claimed
EP-1802682-A1 MODIFIED COPOLYESTERS AND OPTICAL FILMS INCLUDING MODIFIED COPOLYESTERS 3M Innovative Properties Company (US) 2007-07-04 EP claimed
WO-2006044075-A1 MODIFIED COPOLYESTERS AND OPTICAL FILMS INCLUDING MODIFIED COPOLYESTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-27 WO claimed
US-20060084780-A1 Modified copolyesters and optical films including modified copolyesters 3M INNOVATIVE PROPERTIES COMPANY 2006-04-20 US claimed
US-6946188-B2 Modified copolyesters and improved multilayer reflective films 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-20 US claimed
US-20040086690-A1 Modified copolyesters and improved multilayer reflective films 3M INNOVATIVE PROPERTIES COMPANY 2004-05-06 US claimed
US-4223126-A Linear copolyesters containing tertiary butyl isophthalic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 US claimed
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-04-10 US disclosed
EP-4452978-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 EP disclosed
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2024-08-22 US disclosed
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
EP-4363422-A1 MACROCYCLIC TAK1 INHIBITORS Aqilion AB (SE) 2024-05-08 EP disclosed
CN-117561262-A Macrocyclic TAK1 inhibitors 阿奎利恩有限公司 2024-02-13 CN disclosed
CN-1136055-A Partly aromatic copyamide molding materials having high crystalliuity BASF AG (DE) 1996-11-20 CN disclosed
US-5527844-A HIGH HEAT DISTORTION RESISTANCE, RIGIDITY BASF AKTIENGESELLSCHAFT (DE) 1996-06-18 US disclosed
EP-0623050-A1 META, PARA-BISPHENOL BASED POLYMER GAS SEPARATION MEMBRANES THE DOW CHEMICAL COMPANY (US) 1994-11-09 EP disclosed
WO-1993012869-A1 META, PARA-BISPHENOL BASED POLYMER GAS SEPARATION MEMBRANES THE DOW CHEMICAL COMPANY (US) 1993-07-08 WO disclosed
US-5152811-A Composite membrane THE DOW CHEMICAL COMPANY (US) 1992-10-06 US disclosed
US-4223126-A Linear copolyesters containing tertiary butyl isophthalic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 US disclosed
US-4223126-A Linear copolyesters containing tertiary butyl isophthalic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 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 (3 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-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA SLC7A5 3504/4885RXRA 3554/4885RXRB 3413/4885
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 SLC7A5 2429/4885RXRA 2935/4885RXRB 2727/4885
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS TAB1, TBK1, IRAK3 SLC7A5 3783/4885RXRA 3892/4885RXRB 3871/4885

“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.