SCHEMBL16638634

SCHEMBL16638634

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 5/20 0.39
CA14 Q9ULX7 5/20 0.39
TSHR P16473 3/20 0.39
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 2/20 0.37
KDM5A P29375 2/20 0.37
LTA4H P09960 1/20 0.34
TOP2A P11388 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
PAOX Q6QHF9 1/20 0.32
EPHX2 P34913 2/20 0.31
CA1 P00915 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TERT O14746 1/20 0.31

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
SCHEMBL16638642 0.97 MEN1 (0.43) MEN1KMT2ACA12CA14TSHR
SCHEMBL7862774 0.93 KMT2A (0.48) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847506 0.93 KMT2A (0.48) MEN1KMT2ACA12CA14TSHR
SCHEMBL16638640 0.92 MEN1 (0.44) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847507 0.91 KMT2A (0.47) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847692 0.91 KMT2A (0.50) MEN1KMT2ACA12CA14TSHR
SCHEMBL12791479 0.91 KMT2A (0.50) MEN1KMT2ACA12CA14TSHR
SCHEMBL15781714 0.91 MEN1 (0.50) MEN1KMT2ACA12CA14TSHR
SCHEMBL15781776 0.90 CA12 (0.44) MEN1KMT2ACA12CA14TSHR
SCHEMBL15781769 0.90 CA12 (0.44) MEN1KMT2ACA12CA14TSHR

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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 MEN1 1363/4885KMT2A 2031/4885CA12 4058/4885

“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.