SCHEMBL3133594

SCHEMBL3133594

CCCCCCCCCCC(OC(CCCCCCCCCC)C(O)CC)C(O)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.47
PTPN1 P18031 1/20 0.45
CYP2D6 P10635 2/20 0.44
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
POLB P06746 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CETP P11597 1/20 0.44
HTT P42858 1/20 0.44
UBE2N P61088 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 1/20 0.42
SMPD1 P17405 2/20 0.38

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
SCHEMBL8830681 0.89 PTPN1 (0.54) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL10893736 0.87 PTPN1 (0.49) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL8502257 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL1064522 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL4105974 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL940984 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL1499941 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL2015033 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL9070449 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN
SCHEMBL93582 0.85 CYP2D6 (0.52) SPHK1PTPN1CYP2D6LMNAGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203150-A2 PERSONAL CARE COMPOSITIONS COMPRISING UNDECYL SULFATES The Procter & Gamble Company (US) 2010-07-07 EP claimed
US-20090155383-A1 Personal Care Compositions Comprising Undecyl Sulfates THE PROCTER & GAMBLE COMPANY 2009-06-18 US claimed
WO-2009053931-A2 PERSONAL CARE COMPOSITIONS COMPRISING UNDECYL SULFATES THE PROCTER & GAMBLE COMPANY (US) 2009-04-30 WO 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 (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-20090155383-A1 Personal Care Compositions Comprising Undecyl Sulfates USP25, UTS2R, USP30 SPHK1 2939/4885PTPN1 575/4885CYP2D6 3375/4885

“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.