SCHEMBL15217869

SCHEMBL15217869

COC(=O)CCCCCCCC(O)C(CCCCCCCC(=O)OC)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PPARG P37231 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
PTPRC P08575 2/20 0.36
PTPN13 Q12923 1/20 0.36
PPARA Q07869 1/20 0.36
FNTA P49354 1/20 0.36

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
SCHEMBL14702056 0.94 CA12 (0.49) L3MBTL1LMNACA12CA14CA2
SCHEMBL10119661 0.94 CA12 (0.49) L3MBTL1LMNACA12CA14CA2
SCHEMBL15216619 0.94 L3MBTL1 (0.43) L3MBTL1TSHRALDH1A1LMNAPABPC1
SCHEMBL19295680 0.91 L3MBTL1 (0.48) L3MBTL1TSHRALDH1A1LMNAPABPC1
SCHEMBL10119667 0.86 L3MBTL1 (0.47) L3MBTL1LMNACA12CA14CA2
SCHEMBL10119660 0.86 L3MBTL1 (0.47) L3MBTL1LMNACA12CA14CA2
SCHEMBL19295676 0.84 L3MBTL1 (0.48) L3MBTL1TSHRALDH1A1LMNAPABPC1
SCHEMBL10119673 0.84 CA12 (0.54) L3MBTL1TSHRALDH1A1LMNACA12
SCHEMBL19295673 0.84 TSHR (0.44) L3MBTL1TSHRALDH1A1LMNAPABPC1
SCHEMBL28709667 0.82 TSHR (0.58) L3MBTL1TSHRALDH1A1LMNAPABPC1

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 6 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-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-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

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 L3MBTL1 2000/4885TSHR 3328/4885ALDH1A1 831/4885
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS HHAT, AADAT, SQLE L3MBTL1 2343/4885TSHR 3042/4885ALDH1A1 2198/4885

“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.