SCHEMBL2178062

SCHEMBL2178062

COCCCOc1cc(C=Cc2ccc(OC)cc2OC)cc(C(=O)Nc2cnccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CYP1A1 P04798 4/20 0.44
CYP1B1 Q16678 4/20 0.44
CYP1A2 P05177 4/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44

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
SCHEMBL2175884 0.91 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2175022 0.90 CHRNB2 (0.53) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179286 0.89 CHRNB2 (0.50) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2178069 0.88 GCK (0.64) GCK
SCHEMBL2177729 0.85 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2181133 0.84 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179480 0.84 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179693 0.84 GCK (0.47) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2178520 0.84 CHRNB2 (0.49) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179331 0.84 GCK (0.56) GCKCHRNB2CHRNB4CHRNA3CHRNA4

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 GCK 1/4885CHRNB2 4724/4885CHRNB4 4805/4885

“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.