SCHEMBL15216433

SCHEMBL15216433

CCCCCCCCCCCC(=O)OC(CCCCCCCC(=O)OC)C(CC)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PPARG P37231 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.39
PPARA Q07869 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
KDM5A P29375 1/20 0.39
POLB P06746 1/20 0.38
POLA1 P09884 1/20 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
SCHEMBL15217202 0.93 CA12 (0.47) CA12CA14CA2CA7CA9
SCHEMBL17655193 0.90 CA12 (0.46) CA12CA14CA2CA7CA9
SCHEMBL15216432 0.90 FFAR4 (0.48) LMNAMAPTMAPK1ALDH1A1PPARG
SCHEMBL4397729 0.90 FFAR4 (0.48) LMNAMAPTMAPK1ALDH1A1PPARG
SCHEMBL15216472 0.89 CA12 (0.43) CA12CA14CA2CA7CA9
SCHEMBL17654946 0.86 LMNA (0.53) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL10119673 0.84 CA12 (0.54) CA12CA14CA2CA7CA9
SCHEMBL3699992 0.84 LMNA (0.58) LMNAMAPTMAPK1ALDH1A1PPARG
SCHEMBL17654948 0.83 FFAR4 (0.42) LMNAALDH1A1PPARGPPARA
SCHEMBL18644617 0.83 LMNA (0.46) LMNAMAPTMAPK1ALDH1A1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170211016-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2017-07-27 US disclosed
US-20170211016-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2017-07-27 US disclosed
US-9688944-B2 Synergistic surfactant blends STEPAN COMPANY (US) 2017-06-27 US disclosed
US-9688944-B2 Synergistic surfactant blends STEPAN COMPANY (US) 2017-06-27 US disclosed
US-9598359-B2 Sulfonates from natural oil metathesis STEPAN COMPANY (US) 2017-03-21 US disclosed
US-9598359-B2 Sulfonates from natural oil metathesis STEPAN COMPANY (US) 2017-03-21 US disclosed
US-9303234-B2 Hard surface cleaners based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2016-04-05 US disclosed
US-9303234-B2 Hard surface cleaners based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2016-04-05 US disclosed
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2015-04-02 US disclosed
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2015-04-02 US disclosed
WO-2013162924-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN COMPANY (US) 2013-10-31 WO disclosed
US-20130225473-A1 SULFONATES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
US-20130225469-A1 HARD SURFACE CLEANERS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
US-20130225473-A1 SULFONATES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
US-20130225469-A1 HARD SURFACE CLEANERS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 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 (2 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-20130225473-A1 SULFONATES FROM NATURAL OIL METATHESIS STS, SULT1E1, SULT1A1 CA12 2199/4885CA14 2591/4885CA2 4195/4885
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS HHAT, AADAT, SQLE CA12 1657/4885CA14 1332/4885CA2 2593/4885

“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.