SCHEMBL31106608

SCHEMBL31106608

[C-]#[N+]C(CCCCCCCC/C=C\CCCCCCCC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ MMP9 P14780 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ ADAM17 P78536 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ FAAH O00519 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31106589 0.92 MCHR1 (0.47) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL31106597 0.92 MCHR1 (0.47) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL29956354 0.90 MCHR1 (0.44) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL186606 0.87 CA12 (0.43) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL9404416 0.81 CA12 (0.49) MCHR1MMP9MMP13MMP1CA12
SCHEMBL9414313 0.76 MCHR1 (0.41) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL8971913 0.75 MCHR1 (0.50) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL8971451 0.75 MCHR1 (0.50) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL8973041 0.75 MCHR1 (0.50) MCHR1NR1I2MMP9MMP13ADAM17
SCHEMBL8970696 0.75 MCHR1 (0.50) MCHR1NR1I2MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294462-A1 Method for the Synthesis of Ionizable Lipids Using a Doubly Alkylated Intermediate NANOVATION THERAPEUTICS INC. (CA) 2024-09-05 — — 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 (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-20240294462-A1 Method for the Synthesis of Ionizable Lipids Using a Doubly Alkylated Intermediate SGMS1, SGMS2, LIPC MCHR1 4519/4885NR1I2 4171/4885MMP9 4848/4885

“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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