SCHEMBL6478508

SCHEMBL6478508

CC(C)(C)C(O)(CCOc1ccccc1)Cn1cncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL10360988 0.95 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL1282665 0.94 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL9007847 0.89 ALDH1A1 (0.68) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL10361043 0.87 HSP90AA1 (0.52) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL10391870 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL1286469 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL10545905 0.81 MAPT (0.58) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL10550406 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL2128040 0.78 MAPK1 (0.63) ALDH1A1CYP3A4LMNAKDM4EMEN1
SCHEMBL1286485 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4MAPTKDM4EMEN1

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-20050203171-A1 Oxathiincarboxamides BAYER CROPSCIENCE AG (DE) 2005-09-15 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-20050203171-A1 Oxathiincarboxamides MRPL21, ODC1, DDT ALDH1A1 138/4885CYP3A4 901/4885MAPT 2229/4885

“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.