SCHEMBL21454764

SCHEMBL21454764

C=CCOc1cc(OCC)ccc1C1(O)COc2c(ccc3c2CCC(C)(C)O3)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GLA P06280 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CASP7 P55210 1/20 0.33
▸ NFKB1 P19838 4/20 0.32
▸ NFKB2 Q00653 4/20 0.32
▸ RELA Q04206 4/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL23017918 0.87 GAA (0.32) ALDH1A1GAA
SCHEMBL22965253 0.85 PTPN1 (0.33) PTPN1
SCHEMBL22965252 0.82 PTPN1 (0.43) PTPN1NFKB1NFKB2RELAHSP90AA1
SCHEMBL28485518 0.81 PTPN1 (0.31) PTPN1
SCHEMBL21454333 0.78 PTPN1 (0.37) PTPN1KDM4EALDH1A1GAAHPGD
SCHEMBL22965134 0.77 PTPN1 (0.43) PTPN1
SCHEMBL14100984 0.77 PTPN1 (0.43) PTPN1GAAHSP90AA1CYP3A4
SCHEMBL22965235 0.76 ODC1 (0.40) PTPN1SMN1; SMN2HSP90AA1CYP3A4
Ammonia Solution, Strong SCHEMBL25453595 0.76 PTPN1 (0.40) PTPN1
SCHEMBL25453484 0.76 GAA (0.31) KDM4EALDH1A1GAAHPGDCASP1

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 PTPN1 2837/4885KDM4E 802/4885ALDH1A1 777/4885

“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