SCHEMBL2545522

SCHEMBL2545522

CCCCCCCCCCCCCCCCOC(C)C(O)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
SPHK1 Q9NYA1 3/20 0.43
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 3/20 0.41
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CETP P11597 1/20 0.41

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
SCHEMBL25421947 1.00 USP2 (0.48) USP2SPHK1DNM1ALDH1A1CNR1
SCHEMBL3873682 1.00 USP2 (0.48) USP2SPHK1DNM1ALDH1A1CNR1
SCHEMBL11981865 0.92 USP2 (0.38) USP2SPHK1ALDH1A1CNR1CNR2
SCHEMBL11981862 0.92 USP2 (0.38) USP2SPHK1ALDH1A1CNR1CNR2
SCHEMBL11981859 0.92 USP2 (0.38) USP2SPHK1ALDH1A1CNR1CNR2
SCHEMBL11981857 0.92 USP2 (0.38) USP2SPHK1ALDH1A1CNR1CNR2
SCHEMBL28002018 0.83 SPHK1 (0.42) USP2SPHK1DNM1ALDH1A1CNR1
SCHEMBL1944097 0.82 DNM1 (0.55) USP2SPHK1DNM1ALDH1A1HTT
SCHEMBL20788845 0.82 USP2 (0.50) USP2SPHK1DNM1ALDH1A1CNR1
SCHEMBL20788838 0.82 USP2 (0.50) USP2SPHK1DNM1ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10156566-B2 Detoxification of microbial virulence factors in oral cavity THE PROCTER & GAMBLE COMPANY (US) 2018-12-18 US disclosed
EP-3292215-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY The Procter and Gamble Company (US) 2018-03-14 EP disclosed
US-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY 2017-05-04 US disclosed
WO-2016179561-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY (US) 2016-11-10 WO disclosed
US-8394785-B2 Methods for the treatment and amelioration of urticaria JADO TECHNOLOGIES GMBH (DE) 2013-03-12 US disclosed
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS JADO TECHNOLOGIES GMBH 2011-10-27 US disclosed
CN-1202863-C Antigen delivery system comprising a monoglyceride or diglyceride derivative as an adjuvant MEDICINE DEV CO LTD (IS) 2005-05-25 CN disclosed
CN-1262626-A Antigen delivery system comprising monoglyceride or diglyceride derivatives as adjuvant MEDICINE DEV CO LTD (IS) 2000-08-09 CN disclosed
EP-0284395-B1 NOVEL GLYCEROL DERIVATIVE AND ANTI-HYPERTENSIVE AGENT NIPPON CHEMIPHAR CO., LTD. (JP) 1993-06-23 EP disclosed
US-5183811-A Glycerol derivative and anti-hypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1993-02-02 US disclosed
US-4962096-A WITH REDUCED PLATELET AGGREGATING ACTION NIPPON CHEMIPHAR CO., LTD. (JP) 1990-10-09 US disclosed
US-4827011-A QUATERNARY AMMONIUM INNER SALTS AMERICAN CYANAMID COMPANY (US) 1989-05-02 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 (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-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY GSTM2, GSTA2, GSTA1 USP2 493/4885SPHK1 3963/4885DNM1 1636/4885
US-10156566-B2 Detoxification of microbial virulence factors in oral cavity GSTM2, GSTA2, GSTA1 USP2 493/4885SPHK1 3963/4885DNM1 1636/4885
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS PHOSPHO1, SMPD3, SMPD1 USP2 3107/4885SPHK1 35/4885DNM1 1134/4885

“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.