SCHEMBL809662

SCHEMBL809662

CCC(C)(C)C1CC[CH]CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MAPT P10636 4/20 0.33
GAA P10253 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL9427968 0.82
SCHEMBL2151480 0.81
SCHEMBL1063598 0.78
SCHEMBL28039601 0.78
SCHEMBL27756281 0.76
SCHEMBL8759751 0.76 KDM4E (0.38) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1396813 0.74 ALDH1A1 (0.39) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL25910486 0.74 KDM4E (0.37) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL43311 0.73 EPHX1 (0.31)
SCHEMBL1074362 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-6893584-B2 Stabilized organic peroxide composition and process for making the same CROMPTON CORPORATION (US) 2005-05-17 US claimed
US-20040211938-A1 Stabilized organic peroxide composition and process for making the same CROMPTON CORPORATION 2004-10-28 US claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP claimed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO claimed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP claimed
CN-1167760-A Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds WITCO CORP (US) 1997-12-17 CN claimed
EP-0810211-A2 Organic peroxide stabilization with phosphomolybdic acid WITCO CORPORATION (US) 1997-12-03 EP claimed
EP-0810212-A2 Organic peroxide stabilization with alpha-hydroxyalkyl peroxides WITCO CORPORATION (US) 1997-12-03 EP claimed
EP-0810213-A2 Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds WITCO CORPORATION (US) 1997-12-03 EP claimed
US-5654463-A Organic peroxide stabilization with α-hydroxyalkyl peroxides WITCO CORPORATION (US) 1997-08-05 US claimed
US-5654464-A RETARDING THE RATE OF DECOMPOSITION OF ESPECIALLY PEROXYDICARBONATE AND DIACYL PEROXIDE COMPOSITIONS; NONEXPLOSIVE; HEAT RESISTANCE; FREE RADICAL CATALYSTS; ADDITION POLYMERIZATION CATALYSTS WITCO CORPORATION (US) 1997-08-05 US claimed
EP-0309913-B1 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF AG (DE) 1994-06-15 EP claimed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed
EP-0142197-B1 HYPOCHLORITE BLEACH CONTAINING SURFACTANT AND ORGANIC ANTIFOAMANT THE PROCTER & GAMBLE COMPANY (US) 1990-01-03 EP claimed
EP-0309913-A2 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 3396/4885MAPT 2337/4885GAA 3044/4885
US-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 KDM4E 1647/4885MAPT 3633/4885GAA 1922/4885

“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.