SCHEMBL3683352

SCHEMBL3683352

OCc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.61
GSTP1 P09211 2/20 0.59
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
NR4A2 P43354 2/20 0.57
SMPD1 P17405 1/20 0.57
HDAC4 P56524 1/20 0.55
NAAA Q02083 1/20 0.55
MAOB P27338 3/20 0.53
F9 P00740 1/20 0.52
F10 P00742 1/20 0.52
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
DHODH Q02127 1/20 0.51
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL2137838 0.88 MRGPRX4 (0.69) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL7445953 0.88 CYP4F2 (0.72) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL7346174 0.87 MRGPRX4 (0.64) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL16346074 0.87 GSTP1 (0.66) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL379281 0.87 MAOB (0.67) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL2570119 0.86 MAOB (0.65) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL6192316 0.85 LMNA (0.63) GSTP1SMN1; SMN2NR4A2MAOBFFAR1
SCHEMBL7817624 0.85 GSTP1 (0.60) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL3687040 0.84 MRGPRX4 (0.57) MRGPRX4GSTP1CYP4F2CYP4A11NR4A2
SCHEMBL80163 0.83 CYP4F2 (0.74) TSHRSMN1; SMN2CYP4F2CYP4A11NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813611-B1 1-SUBSTITUTED-3- BETA-D-GLYCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2014-10-01 EP disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1813611-A1 1-SUBSTITUTED-3- BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME SLC5A1, SLC5A2, UGGT1 MRGPRX4 2805/4885GSTP1 305/4885TSHR 3796/4885

“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.