SCHEMBL13616087

SCHEMBL13616087

CC(C)CCC(=O)NCCOCCOCCNC(=O)CCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CA1 P00915 5/20 0.40
CA12 O43570 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
TSHR P16473 1/20 0.40
GLP1R P43220 8/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL11912095 0.96 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL21029891 0.96 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL11912094 0.96 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL11912086 0.94 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL24047857 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL19431099 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL12019304 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL21290600 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL26375472 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22227376 0.92 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 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-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB MEN1 3634/4885KMT2A 2476/4885ALDH1A1 2032/4885

“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.