SCHEMBL5498712

SCHEMBL5498712

CCCCCCCCCCCC(N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PYGB P11216 3/20 0.42
CD69 Q07108 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5498717 1.00 MAPK1 (0.57) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL7123019 1.00 MAPK1 (0.57) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL22692620 0.89 MAPK1 (0.58) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL22227281 0.87 MAPK1 (0.55) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL23016466 0.83 MAPK1 (0.53) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL5494068 0.82 PYGB (0.47) MAPK1CA1CA2CA9PYGB
SCHEMBL5494071 0.82 PYGB (0.47) MAPK1CA1CA2CA9PYGB
SCHEMBL10529883 0.82 MAPK1 (0.58) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL20099370 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL10787019 0.81 MAPK1 (0.61) MAPK1ALDH1A1THRBCA1CA2

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-7312194-B2 Delivery systems ALCHEMIA PTY. LTD. (AU) 2007-12-25 US disclosed
US-20040176281-A1 Delivery systems ALCHEMIA LIMITED (AU) 2004-09-09 US disclosed
WO-2002053572-A1 DELIVERY SYSTEMS ALCHEMIA PTY LTD (AU) 2002-07-11 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-20040176281-A1 Delivery systems MTX2, SGMS2, SGMS1 MAPK1 4773/4885ALDH1A1 2447/4885THRB 4694/4885

“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.