SCHEMBL21115361

SCHEMBL21115361

O=S(=O)(Oc1ccc2oc3ccccc3c2c1-c1cccc2c1oc1ccccc12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 6/20 0.37
▸ CDC14A Q9UNH5 6/20 0.37
▸ ALOX5 P09917 2/20 0.36
▸ DRD2 P14416 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PLK3 Q9H4B4 1/20 0.33
▸ MAOA P21397 1/20 0.33

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
SCHEMBL21115433 0.91 CDC14B (0.39) CDC14BCDC14ADRD2ALDH1A1CYP1A2
SCHEMBL25421451 0.86 PRKDC (0.36) CDC14BCDC14AALOX5DRD2PRKDC
SCHEMBL27012088 0.81 CA1 (0.36) CDC14BCDC14AALDH1A1NTRK1PLK3
SCHEMBL21115453 0.80 CDC14B (0.33) CDC14BCDC14AGAAHPGD
SCHEMBL18795081 0.79 CDC14B (0.46) CDC14BCDC14ADRD2ALDH1A1CYP1A2
SCHEMBL30751952 0.78 MAOA (0.40) CDC14BCDC14AALOX5DRD2ALDH1A1
SCHEMBL24604272 0.77 MAOA (0.34) CDC14BCDC14AALDH1A1CYP1A2GAA
SCHEMBL24604412 0.77 MAOA (0.34) CDC14BCDC14AALDH1A1CYP1A2GAA
SCHEMBL24627968 0.76 CDC14B (0.38) CDC14BCDC14ADRD2ALDH1A1CYP1A2
SCHEMBL19770518 0.76 CDC14B (0.44) CDC14BCDC14AALOX5DRD2PRKDC

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-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 — — US disclosed
US-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-06-27 — — 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-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CRY1, CYP1B1 CDC14B 2940/4885CDC14A 2563/4885ALOX5 675/4885
US-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ODC1, ETV6 CDC14B 3625/4885CDC14A 3456/4885ALOX5 1778/4885

“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.

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