SCHEMBL4597023

SCHEMBL4597023

CC(C)(C)OC(=O)c1ccccc1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.50
KDM4E B2RXH2 6/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ELANE P08246 2/20 0.49
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 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
SCHEMBL1282947 0.88 HSD17B10 (0.50) HSD17B10KDM4ECYP1A2CYP2C9LMNA
SCHEMBL4731573 0.86 HSD17B10 (0.63) HSD17B10KDM4ECYP1A2CYP2C9LMNA
SCHEMBL29574954 0.86 KDM4E (0.49) HSD17B10KDM4ECYP1A2CYP2C9LMNA
SCHEMBL7397616 0.85 HSD17B10 (0.53) HSD17B10KDM4ECYP1A2CYP2C9LMNA
SCHEMBL1973304 0.84 HSD17B10 (0.47) HSD17B10KDM4ECYP1A2CYP2C9LMNA
SCHEMBL6556774 0.84 ELANE (0.44) HSD17B10KDM4ECYP1A2CYP2C9LMNA
SCHEMBL11853507 0.83 HSD17B10 (0.41) HSD17B10KDM4ECYP1A2CYP2C9LMNA
Hydrogen Peroxide SCHEMBL29048859 0.83 TSHR (0.48) HSD17B10LMNAALDH1A1TSHRTDP1
SCHEMBL934637 0.82 MAPT (0.58) HSD17B10HPGDALDH1A1TSHRESR1
SCHEMBL2711658 0.82 ELANE (0.43) HSD17B10KDM4ECYP1A2CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 US disclosed
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-04-28 US disclosed
US-7910568-B2 Inflammatory bowel disease, irritable bowel syndrome, Crohn's disease, ulcerative colitis, gastrointestinal disorders; prevention/treatment of colon cancer; releases hydrogen sulfide ANTIBE THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7879827-B2 such as 5-amino-2-(2-Acetylamino-3-mercapto-propionyloxy)-benzoic acid, useful for the treatment of gastrointestinal disorders such as inflammatory bowel disease and irritable bowel syndrome, and for the prevention/treatment of colon cancer ANTIBE THERAPEUTICS INC. (CA) 2011-02-01 US disclosed
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2009-09-17 US disclosed
US-7498355-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2009-03-03 US disclosed
EP-1996650-A2 FLAME RETARDANT POLYCARBONATE COMPOSITIONS HAVING GOOD TRANSPARENCY AND LOW HAZE, METHOD OF MANUFACTURE, AND ARTICLES PREPARED THEREFROM Sabic Innovative Plastics IP B.V. (NL) 2008-12-03 EP disclosed
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid ANTIBE THERAPEUTICS INC. (CA) 2008-08-28 US disclosed
EP-1814950-A2 THERMOPLASTIC WEAR RESISTANT COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES CONTAINING THE SAME General Electric Company (US) 2007-08-08 EP disclosed
WO-2007013890-A2 THERMOPLASTIC WEAR RESISTANT COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES CONTAINING THE SAME GENERAL ELECTRIC COMPANY (US) 2007-02-01 WO disclosed
WO-2007008476-A2 POLYCARBONATE COMPOSITIONS HAVING INFRARED ABSORBANCE, METHOD OF MANUFACTURE, AND ARTICLES PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2007-01-18 WO disclosed
EP-1725110-A2 BIOCIDAL COMPOSITIONS AND METHODS OF MAKING THEREOF General Electric Company, (a New York Corporation) (US) 2006-11-29 EP disclosed
EP-1725610-A1 BIOCIDAL COMPOSITIONS AND METHODS OF MAKING THEREOF GENERAL ELECTRIC COMPANY (US) 2006-11-29 EP disclosed
EP-1689580-A1 MULTIWALL SHEETS AND METHODS FOR MANUFACTURING THEREOF General Electric Company (US) 2006-08-16 EP disclosed
WO-2005087008-A2 BIOCIDAL COMPOSITIONS AND METHODS OF MAKING THEREOF GENERAL ELECTRIC COMPANY (US) 2005-09-22 WO disclosed
WO-2005087855-A1 BIOCIDAL COMPOSITIONS AND METHODS OF MAKING THEREOF GENERAL ELECTRIC COMPANY (US) 2005-09-22 WO disclosed
WO-2005075550-A1 INFRA-RED RADIATION ABSORPTION ARTICLES AND METHOD OF MANUFACTURE THEREOF GENERAL ELECTRIC COMPANY (US) 2005-08-18 WO disclosed
WO-2005053953-A1 MULTIWALL SHEETS AND METHODS FOR MANUFACTURING THEREOF GENERAL ELECTRIC COMPANY (US) 2005-06-16 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 (4 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-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC HSD17B10 512/4885KDM4E 739/4885CYP1A2 1062/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST HSD17B10 496/4885KDM4E 422/4885CYP1A2 768/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC HSD17B10 512/4885KDM4E 739/4885CYP1A2 1062/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC HSD17B10 512/4885KDM4E 739/4885CYP1A2 1062/4885

“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.