SCHEMBL4020080

SCHEMBL4020080

CC(=O)OCCOCn1cnc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.47
PABPC1 P11940 1/20 0.47
ADORA2B P29275 1/20 0.38
MAPK1 P28482 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.37
AGTR2 P50052 1/20 0.36
GRM2 Q14416 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL4028187 0.81 MEN1 (0.47) MEN1KMT2ATSHRTP53PABPC1
SCHEMBL4025880 0.78 MEN1 (0.47) MEN1KMT2ATSHRTP53PABPC1
SCHEMBL4022505 0.78 MEN1 (0.44) MEN1KMT2ATSHRTP53PABPC1
SCHEMBL13870055 0.77 MEN1 (0.41) MEN1KMT2ATP53PABPC1SMN1; SMN2
SCHEMBL8926305 0.75 HSD17B10 (0.61) MEN1KMT2ATSHRADORA2BMAPK1
SCHEMBL9371648 0.72 MEN1 (0.57) MEN1KMT2ATSHRTP53ADORA2B
SCHEMBL15484962 0.72 LMNA (0.51) MEN1KMT2ATSHRTP53PABPC1
SCHEMBL9426305 0.72 MEN1 (0.54) MEN1KMT2ATSHRADORA2BMAPK1
SCHEMBL17963635 0.71 TSHR (0.47) MEN1KMT2ATSHRTP53ADORA2B
SCHEMBL10582443 0.71 TSHR (0.53) MEN1KMT2ATSHRADORA2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 MEN1 1597/4885KMT2A 4641/4885TSHR 3251/4885

“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.