SCHEMBL2176541

SCHEMBL2176541

COC(=O)c1cc(CBr)cc(OCc2ccccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
TSHR P16473 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC26A4 O43511 1/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL2177575 0.89 MAOB (0.51) MAOBLMNAHPGDTHRATHRB
SCHEMBL2178820 0.88 MAOB (0.58) MAOBLMNAHPGDTSHRL3MBTL1
SCHEMBL1146549 0.85 MAOB (0.55) MAOBLMNAHPGDL3MBTL1TDP1
SCHEMBL2179126 0.84 MAOB (0.53) MAOBLMNAHPGDTHRATHRB
SCHEMBL1262521 0.78 MAOB (0.47) MAOBLMNAHPGDL3MBTL1TDP1
SCHEMBL21818081 0.77 KDM4E (0.42) LMNAHPGDMRGPRX4L3MBTL1TDP1
SCHEMBL1262518 0.77 MAOB (0.46) MAOBL3MBTL1TDP1KDM4EPPARG
SCHEMBL13891535 0.77 MAOB (0.46) MAOBL3MBTL1TDP1KDM4EPPARG
SCHEMBL21712067 0.77 MAPT (0.47) LMNAHPGDTSHRMAPTRAB9A
SCHEMBL2650147 0.76 MAOB (0.52) MAOBLMNAHPGDMRGPRX4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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 (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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 MAOB 2879/4885LMNA 4006/4885HPGD 1289/4885

“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.