SCHEMBL20205963

SCHEMBL20205963

COC1CCC(Cn2c(=O)c3c(ncn3CC3CC34CCC4)n(C)c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ADORA2B P29275 2/20 0.38
PDE4A P27815 4/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE5A O76074 2/20 0.37
TRPA1 O75762 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
HIF1A Q16665 1/20 0.36
CASP1 P29466 1/20 0.36
ADORA2A P29274 1/20 0.35
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 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
SCHEMBL18256653 0.87 KMT2A (0.51) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL20205938 0.86 KMT2A (0.48) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL19607605 0.84 KMT2A (0.45) KMT2AADORA2BPDE4ATRPA1RXFP1
SCHEMBL18256621 0.80 ADORA2B (0.60) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL20205786 0.77 KMT2A (0.46) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL17682304 0.75 KMT2A (0.54) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL17682285 0.75 KMT2A (0.52) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL17682284 0.75 KMT2A (0.52) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL17682250 0.75 KMT2A (0.52) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL20182687 0.75 TRPA1 (0.44) KMT2ATRPA1POLBHIF1A

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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A KMT2A 3573/4885ADORA2B 93/4885PDE4A 8/4885

“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.