SCHEMBL17705606

SCHEMBL17705606

CCOC(=O)CCN(CCC(=O)OC)CCN1CCN(CCN(CCC(=O)OC)CCC(=O)OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM5A P29375 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
CACNA1C Q13936 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL15781702 0.91 MEN1 (0.47) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL15782883 0.89 MEN1 (0.46) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL17705178 0.88 SMN1; SMN2 (0.42) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL13422016 0.85 KMT2A (0.57) KMT2AMEN1TSHRLMNAPOLB
SCHEMBL15781700 0.84 THRB (0.44) KDM5A
SCHEMBL15781711 0.84 THRB (0.44) KDM5A
SCHEMBL15781708 0.84 THRB (0.44) KDM5A
SCHEMBL15781713 0.84 THRB (0.44) KDM5A
SCHEMBL15781710 0.84 THRB (0.44) KDM5A
SCHEMBL17704574 0.84 THRB (0.44) KDM5A

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-9439968-B2 Amine-containing lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-28 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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 KMT2A 267/4885MEN1 2774/4885TSHR 3122/4885

“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.