SCHEMBL4902055

SCHEMBL4902055

C=C(C)COCC[N+](CC)(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
CHRNA7 P36544 5/20 0.34
CHRNA4 P43681 5/20 0.34
CHRM2 P08172 3/20 0.32
CHRM1 P11229 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRM3 P20309 1/20 0.31
DNM1 Q05193 2/20 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
Hydrochloric Acid SCHEMBL2798096 0.98 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2796192 0.83 SLC22A1 (0.40) TSHR
SCHEMBL1598351 0.83 DNM1 (0.33) CHRNB4CHRNA3CHRNA7DNM1
SCHEMBL1597437 0.81 CHRM4 (0.33) CHRM2CHRM1CHRM3
SCHEMBL758122 0.77 CHRM5 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL366719 0.76 CHRM5 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Bromide SCHEMBL366431 0.76 GALR3 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Iodide SCHEMBL10787028 0.76 CHRM5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8057202 0.75 CHRNA7 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL631462 0.75 HSD17B10 (0.37) TSHR

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-20080220031-A1 Dermocosmetic Preparations BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 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-20080220031-A1 Dermocosmetic Preparations C3AR1, C1S, C1R CHRNB2 3647/4885CHRNB4 4158/4885CHRNA3 4341/4885

“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.