SCHEMBL18407474

SCHEMBL18407474

Cc1c(C)c(C)c2c(C)n(C(C)C)c(C)c2c1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL27264270 0.74
SCHEMBL12368445 0.69 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL14226110 0.67 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL3678363 0.61 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL27003510 0.61 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL9077911 0.60
Hydrochloric Acid SCHEMBL2509356 0.59 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
Bromide SCHEMBL2511004 0.59 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
Bromide SCHEMBL2511005 0.59 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL797119 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-08-17 US disclosed
US-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-01-26 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 (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-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 3037/4885SMN1; SMN2 4620/4885
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 2890/4885SMN1; SMN2 4599/4885

“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.