SCHEMBL13052086

SCHEMBL13052086

CCC(=O)C(C)(C)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
NPC1 O15118 1/20 0.33
FFAR3 O14843 1/20 0.33
HTT P42858 1/20 0.33
CYP2B6 P20813 1/20 0.32
HPGD P15428 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL13732037 0.83 L3MBTL1 (0.33) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13052083 0.78 OPRM1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL27431500 0.77 HSD11B1 (0.34) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7229057 0.74 CYP2B6 (0.31) CYP2B6MAPT
SCHEMBL7229061 0.74 CYP2B6 (0.31) CYP2B6MAPT
SCHEMBL7221803 0.74 CYP2B6 (0.31) CYP2B6MAPT
SCHEMBL7229066 0.74 CYP2B6 (0.31) CYP2B6MAPT
SCHEMBL13052071 0.73 HSD11B1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8827280 0.73 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL26039065 0.72 ALDH1A1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4

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-7838110-B2 Aziridine-functional photoactive crosslinking compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-23 US disclosed
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2010-06-03 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-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS PTMA, PAM, AAAS MEN1 557/4885KMT2A 746/4885L3MBTL1 3963/4885

“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.