SCHEMBL17705396

SCHEMBL17705396

CCN(CC)CCN(CCNCCC(=O)OC)CCC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PAOX Q6QHF9 1/20 0.41
TOP2A P11388 2/20 0.41
TSHR P16473 2/20 0.39
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
KDM5A P29375 2/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL15781699 0.97 MEN1 (0.43) MEN1KMT2APAOXTOP2ATSHR
SCHEMBL15781758 0.97 MEN1 (0.43) MEN1KMT2APAOXTOP2ATSHR
SCHEMBL12847506 0.93 KMT2A (0.48) MEN1KMT2ATOP2ATSHRCA12
SCHEMBL7862774 0.93 KMT2A (0.48) MEN1KMT2ATOP2ATSHRCA12
SCHEMBL15781797 0.92 PAOX (0.42) MEN1KMT2APAOXTOP2ATSHR
SCHEMBL15781752 0.91 TSHR (0.43) MEN1KMT2APAOXTOP2ATSHR
SCHEMBL15781690 0.91 TSHR (0.43) MEN1KMT2APAOXTOP2ATSHR
SCHEMBL12847507 0.91 KMT2A (0.47) MEN1KMT2ATOP2ATSHRCA12
SCHEMBL18912869 0.91 PAOX (0.45) MEN1KMT2APAOXTOP2ATSHR
SCHEMBL12847692 0.91 KMT2A (0.50) MEN1KMT2ATOP2ATSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152213-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-01 US disclosed
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 (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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 MEN1 2774/4885KMT2A 267/4885PAOX 888/4885
US-20170152213-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 MEN1 2774/4885KMT2A 267/4885PAOX 888/4885

“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.