SCHEMBL21335342

SCHEMBL21335342

CC(C)c1ccc(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
RNASEH1 O60930 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 2/20 0.41
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
HIF1A Q16665 1/20 0.40
F10 P00742 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FOLH1 Q04609 1/20 0.38
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 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
SCHEMBL16657546 0.95 TRPA1 (0.44) HSP90AA1HSP90AB1RNASEH1ALDH1A1LMNA
SCHEMBL22693634 0.93 HTT (0.41) HSP90AA1HSP90AB1RNASEH1ALDH1A1LMNA
SCHEMBL22693640 0.92 ALDH1A1 (0.43) HSP90AA1HSP90AB1RNASEH1ALDH1A1LMNA
SCHEMBL21335348 0.91 HSP90AA1 (0.44) HSP90AA1HSP90AB1RNASEH1ALDH1A1LMNA
SCHEMBL2523725 0.89 AKR1C3 (0.40) LMNATSHRPOLBFOLH1PTGS1
SCHEMBL545256 0.80 HTT (0.48) ALDH1A1LMNATSHRGAAHTT
SCHEMBL13074723 0.80 EGFR (0.46) ALDH1A1LMNATSHRALOX12HIF1A
SCHEMBL23629772 0.79 HTT (0.47) ALDH1A1LMNATSHRGAAHTT
SCHEMBL935095 0.79 HTT (0.47) ALDH1A1LMNATSHRGAAHTT
SCHEMBL935126 0.79 HTT (0.47) ALDH1A1LMNATSHRGAAHTT

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-11020493-B2 Double-labeled probe for molecular imaging and use thereof DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2021-06-01 US disclosed
US-20200368374-A1 A DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-11-26 US disclosed
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 (3 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-11020493-B2 Double-labeled probe for molecular imaging and use thereof CD47, ANXA5, CD44 HSP90AA1 2389/4885HSP90AB1 1660/4885RNASEH1 3213/4885
US-10406246-B2 Double-labeled probe for molecular imaging and use thereof CD47, ANXA5, CD44 HSP90AA1 2389/4885HSP90AB1 1660/4885RNASEH1 3213/4885
US-20200368374-A1 A DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF ANXA4, ANXA5, ANXA1 HSP90AA1 4117/4885HSP90AB1 3046/4885RNASEH1 913/4885

“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.