SCHEMBL9937647

SCHEMBL9937647

[CH2]CCCCCCC=CC=CC=CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
FASN P49327 1/20 0.52
FAAH O00519 5/20 0.46
TRPV1 Q8NER1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41

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
SCHEMBL9937645 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL18300321 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL14881186 1.00 TSHR (0.59) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25185260 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25172449 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL25178828 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL23112806 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL21694493 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL21694701 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL21694492 0.98 TSHR (0.56) TSHRALDH1A1FASNFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230232821-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE BASF SE (DE) 2023-07-27 US claimed
EP-4164382-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE BASF SE (DE) 2023-04-19 EP claimed
CN-115697052-A Stable, solvent-free, self-emulsifiable concentrate 巴斯夫欧洲公司 2023-02-03 CN claimed
WO-2021254875-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE BASF SE (DE) 2021-12-23 WO claimed
US-20230232821-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE BASF SE (DE) 2023-07-27 US disclosed
EP-4164382-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE BASF SE (DE) 2023-04-19 EP disclosed
CN-115697052-A Stable, solvent-free, self-emulsifiable concentrate 巴斯夫欧洲公司 2023-02-03 CN disclosed
WO-2021254875-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE BASF SE (DE) 2021-12-23 WO disclosed
EP-2938604-A1 BETA-AMINO ESTER GAS HYDRATE INHIBITORS Nalco Company (US) 2015-11-04 EP disclosed
EP-2897576-A2 COMPOSITION FOR TREATING KERATINOUS FIBRES, COMPRISING SPECIFIC AMINOSILICONES, ACIDS AND DIRECT DYES Henkel AG & Co. KGaA (DE) 2015-07-29 EP disclosed
WO-2015090804-A1 ACIDIC AGENTS FOR DYEING KERATIN FIBERS CONTAINING SPECIFIC AMINOSILICONES AND ACID DYES HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
WO-2014105764-A1 BETA-AMINO ESTER GAS HYDRATE INHIBITORS NALCO COMPANY (US) 2014-07-03 WO disclosed
WO-2014044602-A2 COMPOSITION FOR TREATING KERATINOUS FIBRES, COMPRISING SPECIFIC AMINOSILICONES, ACIDS AND DIRECT DYES HENKEL AG & CO. KGAA (DE) 2014-03-27 WO disclosed
EP-2651515-A2 AGENT FOR CHANGING THE COLOUR AND/OR FORM OF KERATINOUS FIBRES Henkel AG & Co. KGaA (DE) 2013-10-23 EP disclosed
EP-2559456-A2 Agent for treating and/or dying ceratinic fibres containing specific aminosilicones and alkalising agent Henkel AG & Co. KGaA (DE) 2013-02-20 EP disclosed
WO-2012079915-A2 AGENT FOR CHANGING THE COLOUR AND/OR FORM OF KERATINOUS FIBRES HENKEL AG & CO. KGAA (DE) 2012-06-21 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 (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-20230232821-A1 A STABLE, SOLVENT-FREE, SELF-EMULSIFIABLE CONCENTRATE LIPA, FFAR1, FASN TSHR 4753/4885ALDH1A1 114/4885FASN 3/4885

“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.