SCHEMBL23169072

SCHEMBL23169072

CNCCOCCOCCC(=O)NCCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL21311636 1.00 TSHR (0.49) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL12081798 0.89 TSHR (0.55) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL13510958 0.88 TSHR (0.50) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL24321681 0.88 TSHR (0.50) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL24244825 0.87 TSHR (0.57) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL23158646 0.86 KDM4E (0.43) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL13598101 0.86 TSHR (0.49) TSHRKDM4EGLAL3MBTL1CNR1
SCHEMBL20353103 0.86 MEN1 (0.41) TSHRCNR1SMN1; SMN2KMT2AMEN1
SCHEMBL21842294 0.86 MEN1 (0.41) TSHRKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL14601073 0.86 TSHR (0.49) TSHRKDM4EGLAL3MBTL1CNR1

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-20220220373-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-07-14 US disclosed
WO-2021058443-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO 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-20220220373-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LPL, LIPA TSHR 1921/4885KDM4E 1637/4885GLA 72/4885

“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.