SCHEMBL21472389

SCHEMBL21472389

CC(C)(O)C(C)(C)OBc1ccc2sc3ccccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
GPR3 P46089 1/20 0.39
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 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
SCHEMBL18164679 0.88 PTPN7 (0.37) PTPN7DUSP3PTPN12PTPN22ALDH1A1
SCHEMBL24056978 0.86 PTPN7 (0.39) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL22058742 0.85 PTPN7 (0.37) PTPN7DUSP3PTPN12PTPN22APEX1
SCHEMBL22276998 0.85 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22
SCHEMBL23597205 0.84 PTPN7 (0.40) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL24886391 0.84 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22
SCHEMBL16985647 0.83 PTPN7 (0.35) PTPN7DUSP3PTPN12PTPN22
SCHEMBL24033725 0.82 MAPK1 (0.32) PTPN7DUSP3PTPN12PTPN22ALDH1A1
SCHEMBL20983889 0.82
SCHEMBL17548782 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023153906-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY APPARATUS 삼성에스디아이 주식회사 2023-08-17 WO disclosed
WO-2020153652-A1 COMPOUND, AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME 주식회사 엘지화학 2020-07-30 WO disclosed
US-20190319196-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NITROGEN-CONTAINING COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-17 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-20190319196-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NITROGEN-CONTAINING COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE NUDC, EML4, SLC7A5 PTPN7 4370/4885DUSP3 4687/4885PTPN12 4508/4885

“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.