SCHEMBL617437

SCHEMBL617437

CCCOCCCNC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX1 P07099 1/20 0.41
TSHR P16473 4/20 0.40
EPHX2 P34913 4/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
RECQL P46063 1/20 0.37
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 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
SCHEMBL302645 0.94 MAPT (0.50) MAPTHSD17B10EPHX1TSHREPHX2
SCHEMBL301433 0.89 TSHR (0.51) HSD17B10TSHRSMN1; SMN2ALDH1A1
SCHEMBL14889325 0.83 TSHR (0.47) HSD17B10TSHRCA14SMN1; SMN2ALDH1A1
SCHEMBL4873828 0.82 MAPT (0.41) MAPTHSD17B10EPHX1TSHREPHX2
SCHEMBL4881440 0.81 TSHR (0.50) HSD17B10TSHREPHX2RECQLCA14
SCHEMBL4881902 0.80 ALDH1A1 (0.54) HSD17B10TSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL18287170 0.80 EPHX1 (0.59) EPHX1MMP8SMN1; SMN2
SCHEMBL18287168 0.80 EPHX1 (0.59) EPHX1MMP8SMN1; SMN2
SCHEMBL18287161 0.80 EPHX1 (0.59) EPHX1MMP8SMN1; SMN2
SCHEMBL12449353 0.79 KDM4C (0.42) EPHX1MMP9SMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079321-B1 COOLING CONFECTIONERIES AND BEVERAGES KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-05-01 EP claimed
US-20110159141-A1 COOLING CONFECTIONERIES AND BEVERAGES INTERCONTINENTAL GREAT BRANDS LLC 2011-06-30 US claimed
EP-2079321-A1 COOLING CONFECTIONERIES AND BEVERAGES Cadbury Adams USA LLC (US) 2009-07-22 EP claimed
WO-2008039522-A1 COOLING CONFECTIONERIES AND BEVERAGES CADBURY ADAMS USA LLC (US) 2008-04-03 WO claimed
EP-2375912-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT INTERCONTINENTAL GREAT BRANDS LLC (US) 2017-08-23 EP disclosed
US-20130330396-A1 METHODS FOR THE TREATMENT OF THROAT DISCOMFORT INTERCONTINENTAL GREAT BRANDS LLC (US) 2013-12-12 US disclosed
US-20130216648-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-08-22 US disclosed
EP-2079321-B1 COOLING CONFECTIONERIES AND BEVERAGES KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-05-01 EP disclosed
US-20120114735-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT INTERCONTINENTAL GREAT BRANDS LLC 2012-05-10 US disclosed
US-20120040050-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES INTERCONTINENTAL GREAT BRANDS LLC 2012-02-16 US disclosed
EP-2375912-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT Kraft Foods Global Brands LLC (US) 2011-10-19 EP disclosed
US-20110159141-A1 COOLING CONFECTIONERIES AND BEVERAGES INTERCONTINENTAL GREAT BRANDS LLC 2011-06-30 US disclosed
WO-2010083133-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT CADBURY ADAMS USA LLC (US) 2010-07-22 WO disclosed
EP-2079321-A1 COOLING CONFECTIONERIES AND BEVERAGES Cadbury Adams USA LLC (US) 2009-07-22 EP disclosed
WO-2008039522-A1 COOLING CONFECTIONERIES AND BEVERAGES CADBURY ADAMS USA LLC (US) 2008-04-03 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 (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-20130330396-A1 METHODS FOR THE TREATMENT OF THROAT DISCOMFORT TAS2R43, TAS2R14, TAS2R31 MAPT 4157/4885HSD17B10 1629/4885EPHX1 3544/4885
US-20120114735-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT TAS2R43, TAS2R14, TAS2R8 MAPT 3713/4885HSD17B10 1752/4885EPHX1 3178/4885

“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.