SCHEMBL26244653

SCHEMBL26244653

CN(c1ccccc1)c1cc(CO)cc2cc(CO)oc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CHKA P35790 4/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHKB Q9Y259 1/20 0.30

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
SCHEMBL26244657 0.86 MAOB (0.34) HSP90AA1HSP90AB1TSHRMEN1KMT2A
SCHEMBL21226532 0.83 SLC22A12 (0.37) TSHRMEN1KMT2A
SCHEMBL26244650 0.81 PDE7B (0.32)
SCHEMBL26244648 0.74 NOTUM (0.39) TSHRCA12CA2CA3CA4
SCHEMBL26244636 0.71 ESR1 (0.34) CA12CA2CA3CA4CA6
SCHEMBL22336249 0.68 ALDH1A1 (0.36) TSHRMEN1KMT2A
SCHEMBL23218741 0.66 CHRM2 (0.48) CA12CA2CA3CA4CA6
SCHEMBL26244601 0.66 CHRM2 (0.51) TSHRCA2MEN1KMT2A
SCHEMBL26244652 0.66 PDE7B (0.32)
SCHEMBL21438786 0.66 TSHR (0.38) TSHR

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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS HSP90AA1 3744/4885HSP90AB1 3437/4885CHKA 599/4885

“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.