SCHEMBL23040922

SCHEMBL23040922

Cc1cc(Br)ccc1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
PTGES O14684 1/20 0.50
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CCR5 P51681 1/20 0.45

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
SCHEMBL30039160 1.00 MAOB (0.51) MAOBPTGESAPPBCHELMNA
Tetrahydrofuran SCHEMBL28974153 0.91 PTGES (0.43) MAOBPTGESCCR5
SCHEMBL1009096 0.89 MAOB (0.51) MAOBPTGESAPPBCHELMNA
SCHEMBL21218509 0.84 LMNA (0.55) MAOBBCHELMNACYP1A2PTGS1
SCHEMBL1010163 0.81 MAOB (0.51) MAOBPTGESAPPBCHELMNA
SCHEMBL29816877 0.81 MAOB (0.51) MAOBPTGESAPPBCHELMNA
SCHEMBL14966760 0.81 MAOB (0.49) MAOB
SCHEMBL11839266 0.80 APP (0.62) MAOBAPPBCHELMNACYP1A2
SCHEMBL7471697 0.79 MEN1 (0.46) MAOB
SCHEMBL19758080 0.79 GSTP1 (0.57) MAOBPTGESLMNACYP1A2PTGS1

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
CN-110066302-B Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2022-12-27 CN disclosed
US-11084842-B2 Glucopyranosyl derivative and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-08-10 US disclosed
US-20210061839-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-03-04 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-20210061839-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SLC5A1, SLC5A2, UGGT1 MAOB 3915/4885PTGES 1812/4885APP 2335/4885
US-11084842-B2 Glucopyranosyl derivative and use thereof SLC5A1, SLC5A2, UGGT1 MAOB 3915/4885PTGES 1812/4885APP 2335/4885

“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.