SCHEMBL21115433

SCHEMBL21115433

O=S(=O)(Oc1ccc2oc3ccccc3c2c1-c1cccc2oc3ccccc3c12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 4/20 0.39
▸ CDC14A Q9UNH5 4/20 0.39
▸ NTRK1 P04629 1/20 0.36
▸ PLK3 Q9H4B4 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ MAOA P21397 3/20 0.35
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PGAM1 P18669 1/20 0.32

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
SCHEMBL21115361 0.91 CDC14B (0.37) CDC14BCDC14ANTRK1PLK3DRD2
SCHEMBL27012088 0.85 CA1 (0.36) CDC14BCDC14ANTRK1PLK3ALDH1A1
SCHEMBL18795081 0.83 CDC14B (0.46) CDC14BCDC14ADRD2MAOAHPGD
SCHEMBL23287880 0.82 DRD2 (0.36) DRD2
SCHEMBL24627968 0.80 CDC14B (0.38) CDC14BCDC14ADRD2MAOAHPGD
SCHEMBL21115453 0.78 CDC14B (0.33) CDC14BCDC14AHPGDGAAKDM4E
SCHEMBL7788925 0.77 MAPT (0.40) DRD2HPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18820581 0.77 CDC14B (0.38) CDC14BCDC14ANTRK1PLK3DRD2
SCHEMBL25421451 0.76 PRKDC (0.36) CDC14BCDC14ANTRK1PLK3DRD2
SCHEMBL21583493 0.76 AHR (0.41) CDC14BCDC14AMAOAHPGDSMN1; SMN2

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-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 (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-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ODC1, ETV6 CDC14B 3625/4885CDC14A 3456/4885NTRK1 4518/4885

“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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