SCHEMBL15034385

SCHEMBL15034385

O=C(O)CNC(=O)CNC(=O)CNC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA3 P07451 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPHX1 P07099 1/20 0.38
EGLN1 Q9GZT9 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
FAAH O00519 5/20 0.33

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
SCHEMBL11799968 1.00 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1460181 0.91 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15133174 0.81 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL47356 0.78 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6855036 0.78 EPHX1 (0.43) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL11288932 0.78 ITGB1 (0.38) ALDH1A1EGLN1ITGB1ITGA5FAAH
SCHEMBL2804137 0.77 EGLN1 (0.39) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28843017 0.75 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30047450 0.75 ALDH1A1 (0.38) ALDH1A1POLBMEN1KMT2AEGLN1
SCHEMBL23366306 0.74 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-20130156721-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-06-20 US disclosed
US-20130156721-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-06-20 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-20130156721-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, DSC1, SI ALDH1A1 3595/4885POLB 3832/4885SMN1; SMN2 1514/4885

“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.