SCHEMBL873885

SCHEMBL873885

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)N(O)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.50
▸ CES1 P23141 10/20 0.50
▸ CES2 O00748 5/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PPARG P37231 3/20 0.42
▸ PPARD Q03181 3/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GPR84 Q9NQS5 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ FABP4 P15090 1/20 0.42

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
SCHEMBL16671430 1.00 FAAH (0.50) FAAHCES1CES2MEN1KMT2A
SCHEMBL455070 0.87 FAAH (0.52) FAAHCES1CES2MEN1KMT2A
SCHEMBL457602 0.87 FAAH (0.52) FAAHCES1CES2MEN1KMT2A
SCHEMBL5846740 0.80 FAAH (0.44) FAAHCES1CES2MEN1KMT2A
SCHEMBL540827 0.79 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL5533296 0.79 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL2556207 0.77 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL28875 0.77 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL540430 0.76 FAAH (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL5929269 0.76 FAAH (0.41) FAAHCES1CES2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060034792-A1 Cosmetic composition based on a cationic surfactant, an amino silicone or vinyl silicone, a fatty alcohol and a propellant L'OREAL (FR) 2006-02-16 — — US claimed
US-8808400-B2 Dyeing or lightening process using a composition rich in fatty substances comprising an alcohol having at least 20 carbons, compositions and device L'OREAL (FR) 2014-08-19 — — US disclosed
US-8802066-B2 Cosmetic composition comprising a particular zinc salt and an amino silicone L'OREAL (FR) 2014-08-12 — — US disclosed
US-8784506-B2 Dye composition having a low content of ammonia L'OREAL (FR) 2014-07-22 — — US disclosed
US-20140053345-A1 DYEING OR LIGHTENING PROCESS USING A COMPOSITION RICH IN FATTY SUBSTANCES COMPRISING AN ALCOHOL HAVING AT LEAST 20 CARBONS, COMPOSITIONS AND DEVICE L'OREAL (FR) 2014-02-27 — — US disclosed
US-20130340783-A1 COSMETIC COMPOSITION COMPRISING A PARTICULAR ZINC SALT AND AN AMINO SILICONE L'OREAL (FR) 2013-12-26 — — US disclosed
EP-2663368-A2 DYEING OR LIGHTENING PROCESS USING A COMPOSITION RICH IN FATTY SUBSTANCES COMPRISING AN ALCOHOL HAVING AT LEAST 20 CARBONS, COMPOSITIONS AND DEVICE L'Oréal (FR) 2013-11-20 — — EP disclosed
US-20130298934-A1 DYE COMPOSITION HAVING A LOW CONTENT OF AMMONIA L'OREAL (FR) 2013-11-14 — — US disclosed
EP-2654676-A1 COSMETIC COMPOSITION COMPRISING A PARTICULAR ZINC SALT AND AN AMINO SILICONE L'Oréal (FR) 2013-10-30 — — EP disclosed
EP-2645984-A1 COSMETIC COMPOSITION CONTAINING A NON-AMINO SILICONE, A LIQUID FATTY ESTER AND AN AMINO SILICONE, PROCESS AND USE L'Oréal (FR) 2013-10-09 — — EP disclosed
EP-2635250-A1 DYE COMPOSITION HAVING A LOW CONTENT OF AMMONIA L'Oréal (FR) 2013-09-11 — — EP disclosed
WO-2012095397-A2 DYEING OR LIGHTENING PROCESS USING A COMPOSITION RICH IN FATTY SUBSTANCES COMPRISING AN ALCOHOL HAVING AT LEAST 20 CARBONS, COMPOSITIONS AND DEVICE L'OREAL (FR) 2012-07-19 — — WO disclosed
WO-2012084903-A1 COSMETIC COMPOSITION COMPRISING A PARTICULAR ZINC SALT AND AN AMINO SILICONE L'OREAL (FR) 2012-06-28 — — WO disclosed
WO-2012084867-A1 COSMETIC COMPOSITION COMPRISING A ZINC SALT, A CATIONIC POLYMER AND A PROPELLANT L'OREAL (FR) 2012-06-28 — — WO disclosed
WO-2012084901-A1 COSMETIC COMPOSITION COMPRISING A ZINC SALT AND A SOLID FATTY ESTER L'OREAL (FR) 2012-06-28 — — WO disclosed
WO-2012072765-A1 COSMETIC COMPOSITION CONTAINING A NON-AMINO SILICONE, A LIQUID FATTY ESTER AND AN AMINO SILICONE, PROCESS AND USE L'OREAL (FR) 2012-06-07 — — WO disclosed
WO-2012059410-A1 DYE COMPOSITION HAVING A LOW CONTENT OF AMMONIA L'OREAL (FR) 2012-05-10 — — WO disclosed
WO-2012038538-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE QUATERNARY AMMONIUM ESTER AND AT LEAST ONE SOLUBLE SALT OF DIVALENT METALS, AND PROCESS USING THE SAID COMPOSITION L'OREAL (FR) 2012-03-29 — — 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 (4 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-20060034792-A1 Cosmetic composition based on a cationic surfactant, an amino silicone or vinyl silicone, a fatty alcohol and a propellant PHOSPHO1, SGMS1, SGMS2 FAAH 473/4885CES1 2863/4885CES2 1877/4885
US-20130340783-A1 COSMETIC COMPOSITION COMPRISING A PARTICULAR ZINC SALT AND AN AMINO SILICONE KRT18, CUTA, PRDM7 FAAH 4805/4885CES1 4332/4885CES2 3777/4885
US-20130298934-A1 DYE COMPOSITION HAVING A LOW CONTENT OF AMMONIA KRT18, OAT, NUP205 FAAH 500/4885CES1 3127/4885CES2 3006/4885
US-20140053345-A1 DYEING OR LIGHTENING PROCESS USING A COMPOSITION RICH IN FATTY SUBSTANCES COMPRISING AN ALCOHOL HAVING AT LEAST 20 CARBONS, COMPOSITIONS AND DEVICE KRT18, ADH1C, ADH1A FAAH 439/4885CES1 57/4885CES2 50/4885

“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.

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