SCHEMBL4876709

SCHEMBL4876709

CC(C)Oc1ccc2ccccc2c1[C]=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NCEH1 Q6PIU2 7/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
TLR8 Q9NR97 1/20 0.37
MCHR1 Q99705 1/20 0.37
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3081463 0.81 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5610039 0.77 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL13323849 0.77 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL3251341 0.77 ALDH1A1 (0.39) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL3274613 0.77 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL2119647 0.77 ALOX5 (0.47) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL2814633 0.76 IRAK4 (0.44) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL3242877 0.75 NCEH1 (0.48) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL27740253 0.75 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL4877102 0.74 GAA (0.51) CYP2C9TLR8MCHR1TSHRTDP1

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-20080275095-A1 Combination of Prostaglandin E2 Receptor Antagonists and Renin-Angiotensin System Inhibitors for Treating Renal Diseases ASTELLAS PHARMA INC. (JP) 2008-11-06 US disclosed
EP-1742662-A2 COMBINATION OF PROSTAGLANDIN E2 RECEPTOR ANTAGONISTS AND RENIN-ANGIOTENSIN SYSTEM INHIBITORS FOR TREATING RENAL DISEASES Astellas Pharma Inc. (JP) 2007-01-17 EP disclosed
WO-2005105147-A2 COMBINATION OF PROSTAGLANDIN E2 RECEPTOR ANTAGONISTS AND RENIN-ANGIOTENSIN SYSTEM INHIBITORS FOR TREATING RENAL DISEASES ASTELLAS PHARMA INC. (JP) 2005-11-10 WO disclosed
US-6437146-B1 MESANGIAL PROLIFERATIVE GLOMERULONEPHRITIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-20 US disclosed
EP-1115712-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-18 EP disclosed
WO-2000018744-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 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 (1 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-20080275095-A1 Combination of Prostaglandin E2 Receptor Antagonists and Renin-Angiotensin System Inhibitors for Treating Renal Diseases AGTR2, REN, AGTR1 MAPT 4280/4885CYP1A2 340/4885CYP2C9 996/4885

“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.