SCHEMBL20179561

SCHEMBL20179561

O=C(CCCCCC(=O)NCCNC(=O)C(F)(F)F)NCCNC(=O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CA3 P07451 2/20 0.59
CA5A P35218 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
EPHX1 P07099 1/20 0.55
CA14 Q9ULX7 2/20 0.53
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
FAAH O00519 4/20 0.44
TSHR P16473 1/20 0.42
DNM1 Q05193 2/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL27056159 0.87 MEN1 (0.66) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL19787026 0.87 MEN1 (0.59) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2000676 0.86 EPHX1 (0.69) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL16489188 0.83 TSHR (0.67) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13861685 0.82 ALDH1A1 (0.79) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL23568850 0.82 ALDH1A1 (0.54) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL7701423 0.81 ALDH1A1 (0.59) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL20684934 0.81 MEN1 (0.68) MEN1KMT2AALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL27202275 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL29982917 0.80 MEN1 (1.00) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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-10442890-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2019-10-15 US disclosed
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities UNIV VANDERBILT (US) 2018-05-24 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-10442890-B2 Multifunctional degradable nanoparticles with control over size and functionalities DSTN, PARN, CTSA MEN1 1242/4885KMT2A 3937/4885ALDH1A1 1776/4885
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities DSTN, PARN, CTSA MEN1 1242/4885KMT2A 3937/4885ALDH1A1 1776/4885

“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.