SCHEMBL15936841

SCHEMBL15936841

CCCCCCCCC(CCC)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.60
S1PR3 Q99500 2/20 0.41
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 2/20 0.39
TP53 P04637 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CA2 P00918 2/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
NAAA Q02083 2/20 0.36
LMNA P02545 1/20 0.36
GRIA4 P48058 1/20 0.36
CNR2 P34972 1/20 0.36
SERPINE1 P05121 1/20 0.35

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
SCHEMBL19627845 0.97 NR1I2 (0.63) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL4310857 0.97 NR1I2 (0.63) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL27214770 0.97 NR1I2 (0.63) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL6128184 0.97 NR1I2 (0.63) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL14801970 0.95 NR1I2 (0.61) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL19627843 0.95 NR1I2 (0.61) NR1I2S1PR3MMP9MMP13ADAM17
Ammonia Solution, Strong SCHEMBL28300034 0.94 NR1I2 (0.60) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL16324578 0.94 NR1I2 (0.60) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL16076634 0.94 NR1I2 (0.59) NR1I2S1PR3MMP9MMP13ADAM17
SCHEMBL19627840 0.91 NR1I2 (0.73) NR1I2S1PR3MMP9MMP13ADAM17

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-11591545-B2 Method of producing biodiesel BASF SE (DE) 2023-02-28 US disclosed
US-11535815-B2 Glycerin ethoxylate as an active ingredient in removing make-up stain SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-12-27 US disclosed
US-20210380900-A1 METHOD OF PRODUCING BIODIESEL BASF SE (DE) 2021-12-09 US disclosed
US-9593295-B2 Surfactants with lower CMC, and surfactant systems and detergents containing said surfactants Henkel AG & Co. KGaA & Studiengesellschaft (DE) 2017-03-14 US disclosed
US-20150337237-A1 NOVEL SURFACTANTS WITH LOWER CMC, AND SURFACTANT SYSTEMS AND DETERGENTS CONTAINING SAID SURFACTANTS HENKEL AG & CO. KGAA (DE) 2015-11-26 US disclosed
WO-2014117973-A1 NOVEL SURFACTANTS WITH LOWER CMC, AND SURFACTANT SYSTEMS AND DETERGENTS CONTAINING SAID SURFACTANTS HENKEL AG & CO. KGAA (DE) 2014-08-07 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 (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-11591545-B2 Method of producing biodiesel FASN, MGLL, GK NR1I2 3297/4885S1PR3 713/4885MMP9 2061/4885
US-20150337237-A1 NOVEL SURFACTANTS WITH LOWER CMC, AND SURFACTANT SYSTEMS AND DETERGENTS CONTAINING SAID SURFACTANTS NCEH1, CFH, C1S NR1I2 3412/4885S1PR3 46/4885MMP9 2781/4885

“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.