SCHEMBL3725308

SCHEMBL3725308

C=C(C)C(=O)OC(CC(=C)C(=O)OCCCCCCCCCCCCCCCCCC)CC(C[N+](C)(C)C)OP(=O)([O-])O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
MAPT P10636 4/20 0.36
MAPK1 P28482 4/20 0.36
SLC25A20 O43772 3/20 0.36
TP53 P04637 3/20 0.36
MEN1 O00255 3/20 0.36
GMNN O75496 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP2D6 P10635 2/20 0.36
HSP90AA1 P07900 2/20 0.36
BLM P54132 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 2/20 0.36
GLA P06280 1/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4213551 0.96 TSHR (0.37) TSHRMAPTMAPK1SLC25A20TP53
SCHEMBL3976898 0.83 TSHR (0.53) TSHRMAPTMAPK1SLC25A20TP53
SCHEMBL17076359 0.80 MEN1 (0.35) TSHRMAPTSLC25A20TP53MEN1
SCHEMBL17964294 0.78 TSHR (0.46) TSHRMAPTMAPK1SLC25A20TP53
SCHEMBL1260811 0.78 TSHR (0.44) TSHRMEN1LMNAKMT2ANPSR1
SCHEMBL5673772 0.78 TSHR (0.44) TSHRMEN1LMNAKMT2ANPSR1
SCHEMBL3655243 0.77 ADRA1D (0.61) MAPTMAPK1MEN1GMNNLMNA
SCHEMBL1260101 0.77 TSHR (0.42) TSHRMEN1LMNAKMT2ACYP1A2
SCHEMBL31216396 0.76 TSHR (0.40) TSHRMEN1LMNAKMT2ACYP1A2
SCHEMBL14988988 0.74 TSHR (0.37) TSHRMAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015013783-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE AND PHOSPOLIPIDE POLYMERS L'OREAL (FR) 2015-02-05 WO claimed
US-10617623-B2 Peeling process with surfactants L'OREAL (FR) 2020-04-14 US disclosed
WO-2016120656-A1 COMPOSITION COMPRISING AN AMINO SILICONE, A PHOSPHOLIPID POLYMER, AND A CATIONIC ASSOCIATIVE POLYMER L'OREAL (FR) 2016-08-04 WO disclosed
WO-2015013783-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE AND PHOSPOLIPIDE POLYMERS L'OREAL (FR) 2015-02-05 WO disclosed
US-20100203004-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER L'OREAL (FR) 2010-08-12 US disclosed
US-20090029928-A1 PEELING PROCESS AND COMPOSITION L'OREAL (FR) 2009-01-29 US disclosed
US-20080200545-A1 PEELING PROCESS WITH SURFACTANTS L'OREAL (FR) 2008-08-21 US disclosed
US-20070065379-A1 Microcapsules having an aqueous core and their use in cosmetics L'OREAL (FR) 2007-03-22 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 (5 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-20080200545-A1 PEELING PROCESS WITH SURFACTANTS CUTA, DSG1, PHOSPHO1 TSHR 4045/4885MAPT 2641/4885MAPK1 1185/4885
US-20090029928-A1 PEELING PROCESS AND COMPOSITION CUTA, PRKCH, EBP TSHR 4282/4885MAPT 2509/4885MAPK1 1612/4885
US-10617623-B2 Peeling process with surfactants CUTA, DSG1, PHOSPHO1 TSHR 4045/4885MAPT 2641/4885MAPK1 1185/4885
US-20100203004-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER PHOSPHO1, CUTA, SGMS1 TSHR 3000/4885MAPT 2920/4885MAPK1 705/4885
US-20070065379-A1 Microcapsules having an aqueous core and their use in cosmetics PHOSPHO1, SGMS1, CUTA TSHR 4226/4885MAPT 498/4885MAPK1 2194/4885

“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.