SCHEMBL4921067

SCHEMBL4921067

CCC(N)C(=O)OCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5662786 0.86 KDM4E (0.48) ALDH1A1GAAKDM4EPKMHRH3
SCHEMBL5662784 0.86 KDM4E (0.48) ALDH1A1GAAKDM4EPKMHRH3
Hydrochloric Acid SCHEMBL23803344 0.85 KDM4E (0.47) ALDH1A1GAAKDM4EPKMHRH3
Hydrochloric Acid SCHEMBL23803348 0.85 KDM4E (0.47) ALDH1A1GAAKDM4EPKMHRH3
SCHEMBL19582185 0.84 KDM4E (0.46) ALDH1A1GAAKDM4EPKMHRH3
SCHEMBL19582184 0.84 KDM4E (0.46) ALDH1A1GAAKDM4EPKMHRH3
SCHEMBL19204364 0.83 KDM4E (0.50) ALDH1A1GAAKDM4EPKMHRH3
SCHEMBL15241329 0.82 LMNA (0.52) ALDH1A1GAAHRH3MAPK1CYP1A2
SCHEMBL13538389 0.81 KDM4E (0.49) ALDH1A1GAAKDM4EPKMHRH3
SCHEMBL12354522 0.81 ALDH1A1 (0.50) ALDH1A1GAAKDM4EPKMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171724-A1 Phosphonate Derivatives of Mycophenolic Acid GILEAD SCIENCES, INC. (US) 2008-07-17 US disclosed
EP-1809277-A2 PHOSPHONATE DERIVATIVES OF MYCOPHENOLIC ACID GILEAD SCIENCES, INC. (US) 2007-07-25 EP disclosed
WO-2006047661-A2 PHOSPHONATE DERIVATIVES OF MYCOPHENOLIC ACID GILEAD SCIENCES, INC. (US) 2006-05-04 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-20080171724-A1 Phosphonate Derivatives of Mycophenolic Acid PPP5C, DUSP15, DUSP4 ALDH1A1 3424/4885GAA 3296/4885KDM4E 1913/4885

“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.