SCHEMBL23733535

SCHEMBL23733535

CC(C)C(C)N1CCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
FDPS P14324 2/20 0.35
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
KCNA5 P22460 2/20 0.32
CYP2C19 P33261 2/20 0.32
KCNH2 Q12809 2/20 0.32
KCNE1 P15382 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20376044 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL6900904 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL13417397 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL24928122 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL12259536 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
Bromide SCHEMBL15157311 0.97 SMN1; SMN2 (0.39) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL15157543 0.97 SMN1; SMN2 (0.39) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL13256071 0.97 SMN1; SMN2 (0.38) SMN1; SMN2FDPS
SCHEMBL13417351 0.97 SMN1; SMN2 (0.38) SMN1; SMN2FDPS
SCHEMBL12257624 0.97 SMN1; SMN2 (0.38) SMN1; SMN2FDPS

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-11083703-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2021-08-10 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-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 SMN1; SMN2 1861/4885FDPS 6/4885CYP1A2 74/4885

“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.