SCHEMBL23271981

SCHEMBL23271981

CCCOc1cc(C)c(OCCC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
GABRP O00591 1/20 0.37

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
SCHEMBL30003324 0.92 CYP2C9 (0.46) HTTCNR1CNR2TLR8MAPT
SCHEMBL19612394 0.92 CYP2C9 (0.46) HTTCNR1CNR2TLR8MAPT
SCHEMBL30003061 0.89 S1PR5 (0.47) HTTCNR1CNR2TLR8MAPT
SCHEMBL19612246 0.89 S1PR5 (0.47) HTTCNR1CNR2TLR8MAPT
SCHEMBL23271817 0.89 S1PR5 (0.47) HTTCNR1CNR2TLR8MAPT
SCHEMBL23271786 0.89 S1PR5 (0.47) HTTCNR1CNR2TLR8MAPT
SCHEMBL29025163 0.86 CNR1 (0.43) HTTCNR1CNR2TLR8MAPT
SCHEMBL23271793 0.85 IDO1 (0.51) HTTCNR1CNR2MAPTL3MBTL1
SCHEMBL23271964 0.85 HTT (0.44) HTTMAPTL3MBTL1LMNAKDM4E
SCHEMBL30003274 0.85 IDO1 (0.51) HTTCNR1CNR2MAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 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 (2 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC HTT 1452/4885CNR1 2468/4885CNR2 2311/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC HTT 1452/4885CNR1 2468/4885CNR2 2311/4885

“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.