SCHEMBL21765838

SCHEMBL21765838

C=CCCCCCCCC(C#N)CCCCCCCC=C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TRPA1 O75762 3/20 0.39
ALDH1A1 P00352 5/20 0.39
USP2 O75604 3/20 0.39
MAPT P10636 2/20 0.37
ABCC4 O15439 1/20 0.37
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LPAR3 Q9UBY5 2/20 0.32
LMNA P02545 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL3112131 0.90 TSHR (0.50) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL31590958 0.90 TSHR (0.61) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3118524 0.90 TSHR (0.56) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3124622 0.90 TSHR (0.56) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3108005 0.90 TSHR (0.50) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL4354554 0.90 TSHR (0.61) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3112778 0.90 TSHR (0.56) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3127320 0.90 TSHR (0.50) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3108944 0.87 TSHR (0.52) TSHRTRPA1ALDH1A1USP2MAPT
SCHEMBL3119730 0.87 TSHR (0.46) TSHRTRPA1ALDH1A1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548857-B2 Biodegradable compound, lipid particle, composition comprising lipid particle, and kit KABUSHIKI KAISHA TOSHIBA (JP) 2023-01-10 US disclosed
US-20200270217-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLE, COMPOSITION COMPRISING LIPID PARTICLE, AND KIT KABUSHIKI KAISHA TOSHIBA (JP) 2020-08-27 US disclosed
WO-2020039631-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLES, COMPOSITION CONTAINING LIPID PARTICLES, AND KIT 株式会社 東芝 2020-02-27 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 (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-11548857-B2 Biodegradable compound, lipid particle, composition comprising lipid particle, and kit KIT, NPY1R, CCKAR TSHR 3869/4885TRPA1 168/4885ALDH1A1 1368/4885
US-20200270217-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLE, COMPOSITION COMPRISING LIPID PARTICLE, AND KIT KIT, NPY1R, CCKAR TSHR 3869/4885TRPA1 168/4885ALDH1A1 1368/4885

“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.