SCHEMBL13061850

SCHEMBL13061850

CCOC(=O)c1cc(N=O)ccc1N=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
EGFR P00533 1/20 0.48
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CASP1 P29466 1/20 0.39

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
SCHEMBL13061852 0.86 TSHR (0.47) TSHREGFRCA12CA1CA2
SCHEMBL28237983 0.83 ALDH1A1 (0.50) TSHRCA12CA1CA2CA7
SCHEMBL25838143 0.79 CA12 (0.47) TSHREGFRCA12CA1CA2
SCHEMBL7992543 0.78 TSHR (0.69) TSHRCA12CA1CA2CA7
SCHEMBL22162979 0.75 CA12 (0.54) TSHREGFRCA12CA1CA2
SCHEMBL11955135 0.74 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL2609143 0.74 CA12 (0.66) TSHREGFRCA12CA1CA2
SCHEMBL1548153 0.74 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL19050355 0.73 MEN1 (0.47) TSHREGFRALDH1A1MAPTKDM4E
SCHEMBL13375810 0.73 KDM4E (0.47) TSHREGFRCA12CA1CA2

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-20100322854-A1 POSITRON EMISSION TOMOGRAPHY IMAGING METHOD PURDUE RESEARCH FOUNDATION (US) 2010-12-23 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-20100322854-A1 POSITRON EMISSION TOMOGRAPHY IMAGING METHOD VDR, FOLR2, SLC46A1 TSHR 287/4885EGFR 433/4885CA12 1172/4885

“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.