SCHEMBL7753353

SCHEMBL7753353

CCCCCCC(CCCC)COC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CYP3A4 P08684 3/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
LMNA P02545 3/20 0.45
ZDHHC7 Q9NXF8 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CA2 P00918 2/20 0.44
RECQL P46063 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL9583158 0.98 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8442586 0.98 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8443793 0.98 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8441571 0.98 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL82662 0.87 CYP3A4 (0.66) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL3754833 0.85 TSHR (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8508059 0.85 TSHR (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL20381899 0.83 TSHR (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL3753776 0.83 TSHR (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL29240282 0.82 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1

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
US-20010055620-A1 New lysine derivatives containing an Ne-alkoxy or Ne-alkenoxycarbonyl group, their preparation and their use in cosmetic, pharmaceutical, hygiene or food compositions L'OREAL 2001-12-27 US disclosed
US-6207173-B1 Lysine derivatives containing an Nε-alkoxy or Nε-alkenoxycarbonyl group, their preparation and their use in cosmetic, pharmaceutical, hygiene or food compositions L'OREAL (FR) 2001-03-27 US disclosed
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5905165-A Alkyl N-(hydroxyalkyl) carbamates and their application in cosmetics, more particularly in hair compositions L'OREAL (FR) 1999-05-18 US disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
US-5849308-A Method of providing surfactant properties to a cosmetic or pharmaceutical composition using alkyl N-(hydroxyalkyl) carbamates L'OREAL (FR) 1998-12-15 US disclosed
US-5788992-A COSMETICS AND HAIR CONDITIONERS L'OREAL (FR) 1998-08-04 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-5684178-A COMPOUNDS FOR COSMETICS OR FOODS L'OREAL (FR) 1997-11-04 US disclosed
US-5587169-A COMPRISING NONIONIC HYDROXYLATED GROUP; PROTECTIVE CREAM L'OREAL (FR) 1996-12-24 US disclosed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP 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-20010055620-A1 New lysine derivatives containing an Ne-alkoxy or Ne-alkenoxycarbonyl group, their preparation and their use in cosmetic, pharmaceutical, hygiene or food compositions DOT1L, KDM7A, JMJD6 TSHR 3025/4885CYP3A4 1689/4885ATM 757/4885

“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.