SCHEMBL16985083

SCHEMBL16985083

CC1(C)CCCCCC(C)(N)CCC(C)(C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL22020472 0.97 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL22280148 0.97 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL21168625 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL12672110 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL20330373 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL24399583 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL22280133 0.95 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL14295210 0.92 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL22942097 0.92 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL12462191 0.89 ALDH1A1 (0.35) ALDH1A1TDP1

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-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 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-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DGAT1, DGAT2, CPT1A ALDH1A1 307/4885TDP1 1378/4885

“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.