SCHEMBL21454331

SCHEMBL21454331

CCc1ccc(C2(O)COc3c(ccc4c3CCC(C)(C)O4)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ HSP90AA1 P07900 2/20 0.34
▸ PTPN1 P18031 4/20 0.33
▸ MAOB P27338 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
SCHEMBL21454602 0.89 MALT1 (0.37) CNR2HSP90AA1PTPN1
SCHEMBL23017896 0.88 CNR2 (0.33) CNR2CNR1HSP90AA1PTPN1
SCHEMBL22965236 0.83 CNR1 (0.38) CNR2CNR1HSP90AA1PTPN1
SCHEMBL21454558 0.82 CNR1 (0.38) CNR2CNR1HSP90AA1PTPN1
SCHEMBL21454332 0.79 CNR2 (0.36) CNR2CNR1HSP90AA1PTPN1MAOB
SCHEMBL22965134 0.79 PTPN1 (0.43) PTPN1
SCHEMBL22965253 0.74 PTPN1 (0.33) PTPN1
SCHEMBL22965202 0.73 PTPN1 (0.37) CNR2CNR1HSP90AA1PTPN1
SCHEMBL21454764 0.72 PTPN1 (0.39) HSP90AA1PTPN1
SCHEMBL14100984 0.71 PTPN1 (0.43) HSP90AA1PTPN1

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-20210040106-A1 METHOD FOR SYNTHESIZING 3-PHENYL-2,8-DIHYDROPYRANO [2,3-F] CHROMENE DERIVATIVE Glaceum Inc. (KR) 2021-02-11 — — US disclosed
WO-2019194582-A1 METHOD FOR SYNTHESIZING 3-PHENYL-2,8-DIHYDROPYRANO [2,3-F] CHROMENE DERIVATIVE 주식회사 글라세움 2019-10-10 — — WO 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-20210040106-A1 METHOD FOR SYNTHESIZING 3-PHENYL-2,8-DIHYDROPYRANO [2,3-F] CHROMENE DERIVATIVE HPD, CYP2J2, PAH CNR2 791/4885CNR1 1750/4885HSP90AA1 3318/4885

“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.

Send feedback