SCHEMBL3790141

SCHEMBL3790141

CC(O)N(C(C)O)C(C)O.[CH2]CCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
EPHX1 P07099 2/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2727202 1.00 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL11623479 1.00 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL11618911 0.82 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL2335296 0.82 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL8907348 0.81 SPHK1 (0.52) SPHK1MEN1KMT2ATSHRTHRB
SCHEMBL7198928 0.81 TSHR (0.40) SPHK1TSHRTHRB
Pentane SCHEMBL6872154 0.80 TSHR (0.44) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL28330454 0.77 TSHR (0.53) MEN1KMT2ATSHRTHRBLMNA
SCHEMBL8420 0.77
SCHEMBL158879 0.77 TSHR (0.61) MEN1KMT2ATSHRTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645334-B2 Barium sulfate SACHTLEBEN CHEMIE GMBH (DE) 2010-01-12 US disclosed
US-20080314291-A1 Barium Sulfate SACHTLEBEN CHEMIE GMBH (DE) 2008-12-25 US disclosed
EP-1521569-A1 COMPOSITIONS HAVING ENHANCED DEPOSITION OF A TOPICALLY ACTIVE COMPOUND ON A SURFACE The Dial Corporation (US) 2005-04-13 EP disclosed
US-6861397-B2 Compositions having enhanced deposition of a topically active compound on a surface THE DIAL CORPORATION (US) 2005-03-01 US disclosed
WO-2004004677-A1 COMPOSITIONS HAVING ENHANCED DEPOSITION OF A TOPICALLY ACTIVE ON A SURFACE THE DIAL CORPORATION (US) 2004-01-15 WO disclosed
US-20030125224-A1 Compositions having enhanced deposition of a topically active compound on a surface HENKEL AG & CO. KGAA (DE) 2003-07-03 US disclosed
US-6451748-B1 ANTIBACTERIAL COMPOSITION COMPRISING: A PHENOLIC ANTIMICROBIAL AGENT; A SURFACTANT SELECTED FROM THE GROUP CONSISTING OF AN ANIONIC SURFACTANT, A CATIONIC SURFACTANT, A NONIONIC SURFACTANT, AND MIXTURES THEREOF; WITH SULFONATES THE DIAL CORPORATION 2002-09-17 US disclosed
US-6414214-B1 HYDROGEL-FORMING POLYMER HAVING SPECIFIED SALINE FLOW CONDUCTIVITY, ABSORPTION UNDER LOAD AND FRANGIBILITY INDEX; DIAPERS, INCONTINENCE PADS BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
EP-1191843-A2 ANTIBACTERIAL COMPOSITIONS The Dial Corporation (US) 2002-04-03 EP disclosed
WO-2000078275-A2 ANTIBACTERIAL COMPOSITIONS THE DIAL CORPORATION (US) 2000-12-28 WO disclosed
US-6107261-A PHENOLIC ANTIBACTERIAL AGENT, A SURFACTANT, HYDROTROPE, WATER SOLUBLE HYDRIC SOLVENT, AND WATER, WHEREIN A PERCENT SATURATION OF THE ANTIBACTERIAL AGENT IN A CONTINUOUS AQUEOUS PHASE OF THE COMPOSITION IS AT LEAST 50% THE DIAL CORPORATION (US) 2000-08-22 US disclosed
EP-0572271-B1 Acyl lactylates as antimicrobial actives UNILEVER PLC (GB) 1997-01-22 EP disclosed
EP-0018717-B1 SHAMPOO UNILEVER PLC (GB) 1983-03-23 EP disclosed
EP-0024799-B1 CONDITIONING SHAMPOO, PROCESS FOR PREPARING IT, DISPENSER CONTAINING IT AND A METHOD OF TREATING HAIR UNILEVER PLC (GB) 1983-03-09 EP disclosed
US-4321256-A Shampoo containing a polyglycol-polyamine condensation resin and a phosphate ester LEVER BROTHERS COMPANY (US) 1982-03-23 US disclosed
US-4298494-A CONTAINING CATIONIC DERIVATIVE OF A POLYGALACTOMANNAN AS A HAIR CONDITIONER LEVER BROTHERS COMPANY (US) 1981-11-03 US disclosed
EP-0024799-A1 Conditioning shampoo, process for preparing it, dispenser containing it and a method of treating hair UNILEVER PLC (GB) 1981-03-11 EP disclosed
EP-0018717-A1 Shampoo UNILEVER PLC (GB) 1980-11-12 EP 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-20030125224-A1 Compositions having enhanced deposition of a topically active compound on a surface LIPA, CUTA, DHCR7 SPHK1 93/4885MEN1 4354/4885KMT2A 3463/4885

“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.