SCHEMBL503697

SCHEMBL503697

[CH2]CCN(CC=C)CCO

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
TSHR P16473 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
SCHEMBL170617 0.90 OPRM1 (0.38) OPRM1OPRD1OPRK1TSHR
SCHEMBL31711370 0.87 OPRM1 (0.37) OPRM1OPRD1OPRK1TSHR
Ammonia Solution, Strong SCHEMBL4662387 0.87 OPRM1 (0.37) OPRM1OPRD1OPRK1TSHR
Hydrochloric Acid SCHEMBL1234433 0.87 OPRM1 (0.40) OPRM1OPRD1OPRK1TSHR
SCHEMBL20835283 0.85 OPRM1 (0.36) OPRM1OPRD1OPRK1TSHR
Hydroxyamine SCHEMBL27747249 0.85 OPRM1 (0.36) OPRM1OPRD1OPRK1TSHR
SCHEMBL147493 0.85 TSHR (0.37) OPRM1OPRD1OPRK1TSHR
Trolamine SCHEMBL9856574 0.82 TSHR (0.35) OPRM1OPRD1OPRK1TSHR
Hydrochloric Acid SCHEMBL7722967 0.82 OPRK1 (0.36) OPRM1OPRD1OPRK1TSHR
Bromide SCHEMBL11042426 0.82 KDM4E (0.35) OPRM1OPRD1OPRK1TSHR

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 919 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US claimed
US-8741961-B2 Use of pargyline for the treatment of hair follicles CUTECH S.R.L. (IT) 2014-06-03 US claimed
US-20240240106-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-07-18 US disclosed
EP-3532018-B1 USE OF 1-[(4R)-4-METHYLCYCLOHEXEN-1-YL]ETHANONE AS AN AROMA CHEMICAL BASF SE (DE) 2024-07-17 EP disclosed
US-20240225975-A9 AN IMPROVED LONG WEARING SUNSCREEN COSMETIC BASF SE (DE) 2024-07-11 US disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
EP-4387950-A1 USE OF 1-(4- TERT- BUTYL CYCLOHEXYL) PROPYL ACETATE AS AROMA INGREDIENT BASF SE (DE) 2024-06-26 EP disclosed
US-12016944-B2 Mixtures comprising a protein extract for the treatment of human skin and/or hair SYMRISE AG (DE) 2024-06-25 US disclosed
US-20240199520-A1 2-(2-(3-METHYLBUT-2-EN-1YL)PHENYL) PROPANAL AND MIXTURES THEREOF AS AROMA INGREDIENT BASF SE (DE) 2024-06-20 US disclosed
US-20240199516-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES BASF SE (DE) 2024-06-20 US disclosed
WO-2024126047-A1 BLEACH POWDER AND METHOD FOR BLEACHING HAIR WELLA GERMANY GMBH (DE) 2024-06-20 WO disclosed
US-6033652-A SUGAR SURFACTANTS, SILICONE COMPOUNDS LIQUID AT ROOM TEMPERATURE AND LESS THAN 2% BY WEIGHT OF PEARLESCING WAXES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-03-07 US disclosed
US-5962663-A PRODUCING BIOPOLYMER WITH HIGH MOLECULAR WEIGHT AND LOW VISCOSITY BY REPEATEDLY CONTACTING FRESH CRUSTACEAN SHELLS WITH AQUEOUS MINERAL ACID AND ALKALI METAL HYDROXIDE SOLUTIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-10-05 US disclosed
US-5939081-A THICKENING AN OIL-IN-WATER EMULSION BY ADDING A THICKENING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-08-17 US disclosed
US-5880299-A REACTING TRIALKANOLAMINES WITH A MIXTURE OF FATTY ACIDS AND DICARBOXYLIC ACIDS AND QUATERNIZING THE RESULTING ESTER HENKEL CORPORATION (US) 1999-03-09 US disclosed
US-5811386-A Clear surface-active mixtures containing anionic surfactant, APG, and temporarily cationic copolymer HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-09-22 US disclosed
US-5795978-A CONTAINING ALKYL OR ALKENL OLIGOGLYCOSIDE AND FATTY ALCOHOL;COSMETICS, DRUGS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-08-18 US disclosed
US-5711899-A ANIONIC, AMPHOTERIC AND/OR ZWITTERION SURFACTANTS WITH PEARLESCENT CONCENTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-01-27 US disclosed
US-5631003-A ZWITTERIONIC POLYMER AND 2-PYRROLIDONE DERIVATIVE, SHAMPOO AND CONDITIONERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-05-20 US disclosed
US-5291905-A Hair treatment applicator HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-03-08 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-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH OPRM1 1414/4885OPRD1 616/4885OPRK1 1247/4885
US-20240199520-A1 2-(2-(3-METHYLBUT-2-EN-1YL)PHENYL) PROPANAL AND MIXTURES THEREOF AS AROMA INGREDIENT PIR, ENY2, IMPA1 OPRM1 413/4885OPRD1 348/4885OPRK1 308/4885
US-20240199516-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES DEK, TRPA1, DGKI OPRM1 443/4885OPRD1 191/4885OPRK1 150/4885

“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.