SCHEMBL4594544

SCHEMBL4594544

C=C(C)C(=O)NC(CC)O[N+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5693063 0.79 TGFBR1 (0.44) TGFBR1ALDH1A1
SCHEMBL10388827 0.78 TGFBR1 (0.43) TGFBR1ALDH1A1
SCHEMBL7961747 0.78 TGFBR1 (0.43) TGFBR1ALDH1A1
SCHEMBL18124153 0.76 TGFBR1 (0.42) TGFBR1ALDH1A1
SCHEMBL167251 0.76 TGFBR1 (0.42) TGFBR1ALDH1A1
SCHEMBL8847175 0.74 TGFBR1 (0.40) TGFBR1
SCHEMBL33606 0.72 TGFBR1 (0.44) TGFBR1ALDH1A1
Fluoride Ion SCHEMBL17105875 0.70 TGFBR1 (0.43) TGFBR1ALDH1A1
Bromide SCHEMBL1953376 0.70 TGFBR1 (0.43) TGFBR1ALDH1A1
Water SCHEMBL9092030 0.70 TGFBR1 (0.43) TGFBR1ALDH1A1

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
EP-1684870-B1 USE OF A COMPOSITIONALLY-GRADED COPOLYMER IN AN AEROSOL DEVICE COMPRISING TWO COMPARTMENTS, AND AEROSOL DEVICE COMPRISING SAID COPOLYMER AND A COMPRESSED GAS OREAL (FR) 2008-01-02 EP claimed
US-20070128127-A1 Aerosol device containing a silicone, a gradient copolymer and a propellant essentially comprising dimethyl ether L'OREAL (FR) 2007-06-07 US claimed
US-20070086959-A1 Use of a compositionally gradient copolymer in an aerosol device comprising two compartments, and aerosol device comprising said copolymer and a compressed gas L'OREAL (FR) 2007-04-19 US claimed
EP-1684870-A1 USE OF A COMPOSITIONALLY-GRADED COPOLYMER IN AN AEROSOL DEVICE COMPRISING TWO COMPARTMENTS, AND AEROSOL DEVICE COMPRISING SAID COPOLYMER AND A COMPRESSED GAS L'OREAL (FR) 2006-08-02 EP claimed
EP-1656103-A2 AEROSOL DEVICE CONTAINING A SILICONE, A GRADED COPOLYMER AND A PROPELLANT ESSENTIALLY COMPRISING DIMETHYLETHER L'OREAL (FR) 2006-05-17 EP claimed
WO-2005020941-A2 AEROSOL DEVICE CONTAINING A SILICONE, A GRADED COPOLYMER AND A PROPELLANT ESSENTIALLY COMPRISING DIMETHYLETHER L'OREAL (FR) 2005-03-10 WO claimed
WO-2005020944-A1 USE OF A COMPOSITIONALLY-GRADED COPOLYMER IN AN AEROSOL DEVICE COMPRISING TWO COMPARTMENTS, AND AEROSOL DEVICE COMPRISING SAID COPOLYMER AND A COMPRESSED GAS L'OREAL (FR) 2005-03-10 WO claimed
EP-1684870-B1 USE OF A COMPOSITIONALLY-GRADED COPOLYMER IN AN AEROSOL DEVICE COMPRISING TWO COMPARTMENTS, AND AEROSOL DEVICE COMPRISING SAID COPOLYMER AND A COMPRESSED GAS OREAL (FR) 2008-01-02 EP disclosed
US-20070128127-A1 Aerosol device containing a silicone, a gradient copolymer and a propellant essentially comprising dimethyl ether L'OREAL (FR) 2007-06-07 US disclosed
US-20070086959-A1 Use of a compositionally gradient copolymer in an aerosol device comprising two compartments, and aerosol device comprising said copolymer and a compressed gas L'OREAL (FR) 2007-04-19 US disclosed
EP-1684870-A1 USE OF A COMPOSITIONALLY-GRADED COPOLYMER IN AN AEROSOL DEVICE COMPRISING TWO COMPARTMENTS, AND AEROSOL DEVICE COMPRISING SAID COPOLYMER AND A COMPRESSED GAS L'OREAL (FR) 2006-08-02 EP disclosed
EP-1656103-A2 AEROSOL DEVICE CONTAINING A SILICONE, A GRADED COPOLYMER AND A PROPELLANT ESSENTIALLY COMPRISING DIMETHYLETHER L'OREAL (FR) 2006-05-17 EP disclosed
WO-2005020941-A2 AEROSOL DEVICE CONTAINING A SILICONE, A GRADED COPOLYMER AND A PROPELLANT ESSENTIALLY COMPRISING DIMETHYLETHER L'OREAL (FR) 2005-03-10 WO disclosed
WO-2005020944-A1 USE OF A COMPOSITIONALLY-GRADED COPOLYMER IN AN AEROSOL DEVICE COMPRISING TWO COMPARTMENTS, AND AEROSOL DEVICE COMPRISING SAID COPOLYMER AND A COMPRESSED GAS L'OREAL (FR) 2005-03-10 WO disclosed
US-20040202688-A1 Nail varnish composition comprising at least one film-forming gradient copolymer and cosmetic process for making up or caring for the nails L'OREAL S.A. (FR) 2004-10-14 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 (3 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-20040202688-A1 Nail varnish composition comprising at least one film-forming gradient copolymer and cosmetic process for making up or caring for the nails POLR1C, PIK3C3, NACA TGFBR1 1423/4885ALDH1A1 1819/4885
US-20070086959-A1 Use of a compositionally gradient copolymer in an aerosol device comprising two compartments, and aerosol device comprising said copolymer and a compressed gas POLR1C, PLOD2, KRT18 TGFBR1 225/4885ALDH1A1 2619/4885
US-20070128127-A1 Aerosol device containing a silicone, a gradient copolymer and a propellant essentially comprising dimethyl ether POLR1C, SHH, DPM1 TGFBR1 68/4885ALDH1A1 1948/4885

“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.