SCHEMBL22011703

SCHEMBL22011703

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 3/20 0.49
CDC14A Q9UNH5 3/20 0.49
MAOA P21397 4/20 0.44
HDAC1 Q13547 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
PGAM1 P18669 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR2 P41597 1/20 0.40
AHR P35869 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.34

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
SCHEMBL4907475 0.79 CA1 (0.55) CDC14BCDC14AMAOAHDAC1ALDH1A1
SCHEMBL329795 0.79 ALDH1A1 (0.47) CDC14BCDC14AMAOAHDAC1ALDH1A1
SCHEMBL29945034 0.77 MAOA (0.47) CDC14BCDC14AMAOAHDAC1ALDH1A1
SCHEMBL329796 0.77 MAOA (0.47) CDC14BCDC14AMAOAHDAC1ALDH1A1
SCHEMBL6987366 0.77 MAOA (0.45) CDC14BCDC14AMAOAHDAC1ALDH1A1
SCHEMBL17847526 0.75 NQO1 (0.50) MAOAALDH1A1GLAPGAM1HPGD
SCHEMBL6929900 0.73 CA2 (0.44) ALDH1A1SMN1; SMN2CCR2GAAHTT
SCHEMBL18795081 0.73 CDC14B (0.46) CDC14BCDC14AMAOAALDH1A1GLA
SCHEMBL3241709 0.73 CA1 (0.57) MAOAALDH1A1CYP3A4KDM4EHSD17B10
Dibenzofuran SCHEMBL21611805 0.73 MAOA (0.48) CDC14BCDC14AMAOAALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
CN-114478562-A Compound and application thereof 上海和辉光电股份有限公司 2022-05-13 CN disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 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 (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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 CDC14B 4657/4885CDC14A 4602/4885MAOA 1223/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 CDC14B 4657/4885CDC14A 4602/4885MAOA 1223/4885

“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.