SCHEMBL5610039

SCHEMBL5610039

CC(C)Oc1ccc2ccccc2c1[O]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
IRAK4 Q9NWZ3 2/20 0.42
NCEH1 Q6PIU2 7/20 0.42
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.37
HPRT1 P00492 1/20 0.37
NR2E1 Q9Y466 1/20 0.36

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
SCHEMBL3274613 0.81 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL27740253 0.79 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL1402471 0.79 MAPT (0.64) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL13390983 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL13391169 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL28419514 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL13323849 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL3267842 0.77 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL4876709 0.77 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL4982131 0.76 CYP1A2 (0.56) MAPTCYP1A2CYP2C9CYP2C19MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MAPT 3817/4885CYP1A2 4073/4885CYP2C9 4681/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 MAPT 4838/4885CYP1A2 1102/4885CYP2C9 1036/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MAPT 3817/4885CYP1A2 4073/4885CYP2C9 4681/4885

“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.