SCHEMBL5198804

SCHEMBL5198804

CCC(C)COCC(O)CO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.32
AGTR1 P30556 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14998222 0.88 KDM4E (0.44) USP2KDM4EHSD17B10TSHRTDP1
SCHEMBL13135366 0.88 USP2 (0.48) USP2KDM4EHSD17B10LMNADUSP3
SCHEMBL9354591 0.86 USP2 (0.47) USP2KDM4EHSD17B10LMNADUSP3
SCHEMBL13070927 0.85 USP2 (0.37) USP2KDM4EHSD17B10LMNAALDH1A1
SCHEMBL1709058 0.83 USP2 (0.54) USP2KDM4EHSD17B10LMNADUSP3
Propane SCHEMBL5154976 0.83 USP2 (0.58) USP2KDM4EHSD17B10LMNADUSP3
Isobutane SCHEMBL27997158 0.83 USP2 (0.52) USP2KDM4EHSD17B10LMNADUSP3
Alcohol SCHEMBL2553945 0.83 USP2 (0.58) USP2KDM4EHSD17B10LMNADUSP3
Isopropyl Alcohol SCHEMBL7787253 0.83 USP2 (0.52) USP2KDM4EHSD17B10LMNADUSP3
SCHEMBL172770 0.83 USP2 (0.50) USP2KDM4EHSD17B10LMNADUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
EP-2793823-B1 SUNCARE FORMULATIONS AND METHODS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-12-06 EP disclosed
CN-100999447-B Method for producing reaction resultant KAO CORP 2012-10-31 CN disclosed
EP-1816115-A2 Method for producing glycidiyl ether Kao Corporation (JP) 2007-08-08 EP disclosed
CN-100999447-A Method for producing reaction resultant KAO CORP (JP) 2007-07-18 CN disclosed
US-20070149826-A1 METHOD FOR PRODUCING A REACTION PRODUCT KAO CORPORATION (JP) 2007-06-28 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US 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-20070149826-A1 METHOD FOR PRODUCING A REACTION PRODUCT SQLE, HAO2, POLR1C USP2 2880/4885KDM4E 4801/4885HSD17B10 333/4885

“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.