SCHEMBL3744994

SCHEMBL3744994

C=CCc1c(C)ccc(S(=O)(=O)O)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
IKBKB O14920 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MPL P40238 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL20090017 0.80 KDM4E (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL18700964 0.77 HSD17B10 (0.40) CTDSP1KDM4EALDH1A1HTTMAPK1
SCHEMBL2059594 0.77 POLB (0.33) MEN1KMT2APOLBFFAR4
SCHEMBL1734598 0.76 MEN1 (0.35) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6683040 0.74 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL5412420 0.74 MEN1 (0.34) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL28557476 0.73 MYC (0.37) KDM4EALDH1A1MCOLN3MAPTPOLB
SCHEMBL8773429 0.72 POLB (0.33) KDM4EALDH1A1SMN1; SMN2HSD17B10POLB
SCHEMBL21219212 0.72 THRA (0.32) CTDSP1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL6058021 0.72 ALDH1A1 (0.38) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736325-B2 Surfactants and formulations MONSANTO TECHNOLOGY LLC (US) 2020-08-11 US disclosed
US-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS MONSANTO TECHNOLOGY LLC (US) 2010-09-16 US disclosed
EP-1721523-A2 Aqueous pesticide formulations and novel surfactants Monsanto Technology, LLC (US) 2006-11-15 EP disclosed
EP-1343375-B1 AQUEOUS PESTICIDE FORMULATIONS AND NOVEL SURFACTANTS MONSANTO TECHNOLOGY LLC (US) 2006-08-02 EP disclosed
US-7049270-B2 Potassium glyphosate formulations MONSANTO TECHNOLOGY LLC (US) 2006-05-23 US disclosed
US-20050261130-A1 Novel surfactants and formulations MONSANTO TECHNOLOGY LLC (US) 2005-11-24 US disclosed
EP-1343375-A2 AQUEOUS PESTICIDE FORMULATIONS AND NOVEL SURFACTANTS Monsanto Technology LLC (US) 2003-09-17 EP disclosed
US-20030104943-A1 Novel surfactants and formulations MONSANTO TECHNOLOGY LLC 2003-06-05 US disclosed
WO-2001089302-A2 AQUEOUS PESTICIDE FORMULATIONS AND NOVEL SURFACTANTS MONSANTO TECHNOLOGY, LLC (US) 2001-11-29 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 (4 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-20050261130-A1 Novel surfactants and formulations PHOSPHO1, GNMT, DDT CTDSP1 2901/4885KDM4E 825/4885ALDH1A1 3738/4885
US-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS PHOSPHO1, GNMT, DDT CTDSP1 2901/4885KDM4E 825/4885ALDH1A1 3738/4885
US-10736325-B2 Surfactants and formulations PHOSPHO1, GNMT, DDT CTDSP1 2768/4885KDM4E 651/4885ALDH1A1 3698/4885
US-20030104943-A1 Novel surfactants and formulations PHOSPHO1, GNMT, DDT CTDSP1 2992/4885KDM4E 882/4885ALDH1A1 3770/4885

“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.