SCHEMBL2045796

SCHEMBL2045796

C=C(C)c1ccc(C(=O)NCCC[Si](OCC)(OCC)OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NAAA Q02083 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2044554 0.86 ALDH1A1 (0.55) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL13133224 0.86 NPC1 (0.54) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL14190011 0.84 CYP1A2 (0.53) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL10774859 0.84 LMNA (0.54) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL29127798 0.84 NAAA (0.60) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL13133125 0.84 KMT2A (0.68) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL22249864 0.83 NPC1 (0.51) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL3972988 0.83 NAAA (0.64) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL20774364 0.82 KMT2A (0.60) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL9980885 0.82 NAAA (0.55) NPC1RAB9AALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381651-B1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM DOW CORNING TORAY CO LTD (JP) 2011-06-29 EP disclosed
EP-1858982-B1 SILICONE EMULSION, METHOD OF PREPARING SAME, AND COSMETIC INGREDIENT DOW CORNING (US) 2008-08-27 EP disclosed
US-20080182833-A1 Silicone Emulsion, Method of Preparing Same, and Cosmetic Ingredient DOW CORNING CORPORATION 2008-07-31 US disclosed
CN-101142279-A Silicone emulsion, method of preparing same, and cosmetic ingredient DOW CORNING (US) 2008-03-12 CN disclosed
EP-1858982-A1 SILICONE EMULSION, METHOD OF PREPARING SAME, AND COSMETIC INGREDIENT Dow Corning Corporation (US) 2007-11-28 EP disclosed
US-7300648-B2 Polyorganosiloxane emulsion composition and a cosmetic material made therefrom DOWECORNING TORAY SILICONE, CO., LTD. (JP) 2007-11-27 US disclosed
WO-2006102010-A1 SILICONE EMULSION, METHOD OF PREPARING SAME, AND COSMETIC INGREDIENT DOW CORNING CORPORATION (US) 2006-09-28 WO disclosed
US-20040138373-A1 Polyorganosiloxane emulsion composition and a cosmetic material made therefrom DOW TORAY CO., LTD. (JP) 2004-07-15 US disclosed
EP-1406575-A2 POLYORGANOSILOXANE MICRO-EMULSION COMPOSITION AND RAW MATERIAL FOR COSMETICS Dow Corning Toray Silicone Co.,Ltd. Patent Department (JP) 2004-04-14 EP disclosed
EP-1381651-A1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM Dow Corning Toray Silicone Co.,Ltd. Patent Department (JP) 2004-01-21 EP disclosed
WO-2002094213-A2 POLYORGANOSILOXANE MICRO-EMULSION COMPOSITION AND RAW MATERIAL FOR COSMETICS DOW CORNING TORAY SILICONE CO.,LTD. (JP) 2002-11-28 WO disclosed
WO-2002088253-A1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM DOW CORNING TORAY SILICONE CO., LTD. (JP) 2002-11-07 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 (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-20080182833-A1 Silicone Emulsion, Method of Preparing Same, and Cosmetic Ingredient SQLE, CUTA, SMOX NPC1 864/4885RAB9A 4314/4885ALDH1A1 4578/4885

“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.