SCHEMBL21335348

SCHEMBL21335348

CCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(C(C)C)ccc2O)CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
FOLH1 Q04609 1/20 0.40
F10 P00742 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 1/20 0.37
TRPA1 O75762 1/20 0.36
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
RNASEH1 O60930 1/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL21335342 0.91 HSP90AA1 (0.44) HSP90AA1HSP90AB1FOLH1F10POLB
SCHEMBL22693640 0.86 ALDH1A1 (0.43) HSP90AA1HSP90AB1F10POLBALDH1A1
SCHEMBL16657546 0.86 TRPA1 (0.44) HSP90AA1HSP90AB1FOLH1F10POLB
SCHEMBL22693634 0.85 HTT (0.41) HSP90AA1HSP90AB1FOLH1F10POLB
SCHEMBL23425468 0.84 POLB (0.42) FOLH1POLBBACE1TRPA1HIF1A
SCHEMBL25741233 0.82 FOLH1 (0.52) FOLH1POLBBACE1TRPA1HIF1A
SCHEMBL2523725 0.81 AKR1C3 (0.40) FOLH1AKR1C3AKR1C2POLBLMNA
SCHEMBL29308145 0.81 FOLH1 (0.46) FOLH1POLBBACE1TRPA1HIF1A
SCHEMBL2793289 0.79 ALOX5 (0.48) FOLH1POLBBACE1HIF1ATSHR
SCHEMBL26723929 0.78 POLB (0.37) FOLH1POLBBACE1TRPA1PRKCI

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-10406246-B2 Double-labeled probe for molecular imaging and use thereof Deutsches Kresbsforschungszentrum (DE) 2019-09-10 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-10406246-B2 Double-labeled probe for molecular imaging and use thereof CD47, ANXA5, CD44 HSP90AA1 2389/4885HSP90AB1 1660/4885FOLH1 36/4885

“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.