SCHEMBL1679119

SCHEMBL1679119

COCOc1c(C(OC)OC)cccc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
PTPN1 P18031 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1678964 0.86 PIM1 (0.45) PTPN1PIM1PIM2SMN1; SMN2
SCHEMBL1679604 0.79 TSHR (0.39) PTPN1CA2
SCHEMBL6832124 0.77 ALDH1A1 (0.54) ALDH1A1PTPN1PIM1PIM2CA2
SCHEMBL12772148 0.76 ALDH1A1 (0.36) ALDH1A1PTPN1PIM1PIM2CA2
SCHEMBL475319 0.74 ALDH1A1 (0.41) ALDH1A1CA2
SCHEMBL1728866 0.73 PIM1 (0.44) ALDH1A1PTPN1PIM1PIM2CA2
SCHEMBL28896120 0.72 ALDH1A1 (0.34) ALDH1A1PTPN1PIM1PIM2CA2
SCHEMBL28896102 0.72
SCHEMBL27694546 0.72 ALOX5 (0.36) PTPN1
SCHEMBL1679599 0.71

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ALDH1A1 3512/4885PTPN1 1219/4885PIM1 4284/4885

“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.