SCHEMBL4354065

SCHEMBL4354065

C=CCCCCCCCCC/[C]=C/CCCCC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
ALDH1A1 P00352 1/20 0.50
TRPA1 O75762 2/20 0.38
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL3499793 1.00 TSHR (0.64) TSHRALDH1A1TRPA1FAAHTRPV1
SCHEMBL9140978 1.00 TSHR (0.64) TSHRALDH1A1TRPA1FAAHTRPV1
SCHEMBL9142236 1.00 TSHR (0.64) TSHRALDH1A1TRPA1FAAHTRPV1
SCHEMBL9142379 1.00 TSHR (0.64) TSHRALDH1A1TRPA1FAAHTRPV1
SCHEMBL9141366 1.00 TSHR (0.64) TSHRALDH1A1TRPA1FAAHTRPV1
SCHEMBL8854231 0.90 TSHR (0.54) TSHRALDH1A1TRPA1
SCHEMBL23647759 0.89 TSHR (0.44) TSHRFAAHTRPV1
SCHEMBL887761 0.89 TSHR (0.44) TSHRFAAHTRPV1
SCHEMBL7527108 0.89 TSHR (0.44) TSHRFAAHTRPV1
SCHEMBL1279585 0.89 TSHR (0.44) TSHRFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP claimed
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US claimed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US claimed
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 EP claimed
US-8207376-B2 Method for producing amino acid phosphates COSMO OIL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090281347-A1 METHOD FOR PRODUCING AMINO ACID PHOSPHATES COSMO OIL CO., LTD. (JP) 2009-11-12 US disclosed
EP-2006279-A1 METHOD FOR PRODUCTION OF PHOSPHATE SALT OF AMINO ACID COSMO OIL CO., LTD. (JP) 2008-12-24 EP disclosed
US-6858226-B2 Fusogenic lipids and vesicles ISIS PHARMACEUTICALS, INC. (US) 2005-02-22 US disclosed
US-20030082154-A1 Fusogenic lipids and vesicles ISIS PHARMACEUTICALS, INC. 2003-05-01 US disclosed
US-5461075-A Use of vanilloids for the prevention of lesions due to herpes simplex infections THE PROCTER & GAMBLE COMPANY (US) 1995-10-24 US disclosed
EP-0347000-B1 The use of vanilloids for the manufacture of a medicament for treating herpes simplex infections PROCTER & GAMBLE (US) 1994-10-26 EP disclosed
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP disclosed
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US disclosed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US disclosed
EP-0401903-A2 The use of vanilloids for the treatment of respiratory diseases or disorders THE PROCTER & GAMBLE COMPANY (US) 1990-12-12 EP disclosed
EP-0347000-A2 The use of vanilloids for the manufacture of a medicament for treating herpes simplex infections THE PROCTER & GAMBLE COMPANY (US) 1989-12-20 EP disclosed
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 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 (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-20030082154-A1 Fusogenic lipids and vesicles NSF, CHMP4B, ABHD16A TSHR 4354/4885ALDH1A1 4622/4885TRPA1 3421/4885
US-20090281347-A1 METHOD FOR PRODUCING AMINO ACID PHOSPHATES AASDHPPT, NPEPPS, ALAD TSHR 4141/4885ALDH1A1 4441/4885TRPA1 4163/4885

“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.