SCHEMBL5778489

SCHEMBL5778489

COC(=O)c1cc(C=O)cc(I)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PTGS2 P35354 1/20 0.42
APP P05067 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 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
SCHEMBL3308517 0.81 ALDH1A1 (0.44) ALDH1A1PTGS2CA12CA1CA2
SCHEMBL2511971 0.80 PTPN1 (0.45) ALDH1A1PTGS2CA12CA1CA2
SCHEMBL4756891 0.80 ALDH1A1 (0.49) ALDH1A1PTGS2GAAKDM4ENFKB1
SCHEMBL1005116 0.80 ERN1 (0.52) PTGS2APPLMNAKDM4EXDH
SCHEMBL7034885 0.79 TTR (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL30486727 0.79 TTR (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL5777093 0.79 APP (0.45) ALDH1A1APPERN1MEN1KMT2A
SCHEMBL22917693 0.78 ALDH1A1 (0.53) ALDH1A1PTGS2APPCA12CA1
SCHEMBL26799507 0.77 PLAU (0.47) CA12CA1CA2CA7CA9
SCHEMBL9100361 0.77 ALDH1A1 (0.50) ALDH1A1PTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT ALDH1A1 1541/4885PTGS2 2020/4885APP 1/4885

“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.