SCHEMBL12847856

SCHEMBL12847856

COC(=O)CCN(CCCN(C)C)CCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TSHR P16473 3/20 0.48
▸ KDM5A P29375 3/20 0.41
▸ PAOX Q6QHF9 1/20 0.38
▸ KDM4A O75164 9/20 0.37
▸ KDM4C Q9H3R0 9/20 0.37
▸ DNM1 Q05193 1/20 0.37
▸ KDM7A Q6ZMT4 1/20 0.37
▸ PHF8 Q9UPP1 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL15782634 1.00 MEN1 (0.55) MEN1KMT2ATSHRKDM5APAOX
SCHEMBL2055302 0.92 KMT2A (0.58) MEN1KMT2ATSHRKDM5AALDH1A1
SCHEMBL2055301 0.92 KMT2A (0.58) MEN1KMT2ATSHRKDM5AALDH1A1
SCHEMBL2055296 0.92 KMT2A (0.58) MEN1KMT2ATSHRKDM5AALDH1A1
SCHEMBL15782646 0.91 MEN1 (0.47) MEN1KMT2ATSHRKDM5APAOX
SCHEMBL2055298 0.90 KMT2A (0.56) MEN1KMT2ATSHRKDM5AALDH1A1
SCHEMBL2055297 0.90 KMT2A (0.56) MEN1KMT2ATSHRKDM5AALDH1A1
SCHEMBL15782643 0.89 PAOX (0.53) MEN1KMT2ATSHRKDM5APAOX
SCHEMBL15782645 0.88 PAOX (0.49) MEN1KMT2ATSHRKDM5APAOX
SCHEMBL15781643 0.88 KMT2A (0.67) MEN1KMT2ATSHRKDM5AKDM4C

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 2906/4885TSHR 2608/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 MEN1 1363/4885KMT2A 2031/4885TSHR 4001/4885

“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.

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