SCHEMBL12847482

SCHEMBL12847482

COC(=O)CCN(CCNCCN)CCN(CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PAOX Q6QHF9 2/20 0.36
CA12 O43570 4/20 0.35
CA14 Q9ULX7 4/20 0.35
KDM5A P29375 2/20 0.35
CA6 P23280 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 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
SCHEMBL12847496 0.95 MEN1 (0.43) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL12791563 0.91 KMT2A (0.46) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL12847904 0.91 MEN1 (0.38) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL12791566 0.91 KMT2A (0.52) MEN1KMT2ATSHRLMNAKDM4E
SCHEMBL7862774 0.87 KMT2A (0.48) MEN1KMT2ATSHRLMNAKDM4E
SCHEMBL12847506 0.87 KMT2A (0.48) MEN1KMT2ATSHRLMNAKDM4E
SCHEMBL12847693 0.87 KMT2A (0.52) MEN1KMT2ATSHRLMNAKDM4E
SCHEMBL12847493 0.87 MEN1 (0.42) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL12847507 0.86 KMT2A (0.47) MEN1KMT2ATSHRLMNAKDM4E
SCHEMBL12847692 0.85 KMT2A (0.50) MEN1KMT2ATSHRLMNAKDM4E

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-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB MEN1 718/4885KMT2A 2906/4885CYP2C9 3954/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 MEN1 1363/4885KMT2A 2031/4885CYP2C9 903/4885

“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.