SCHEMBL9891691

SCHEMBL9891691

COC[C@H](C)Oc1cccc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOA P21397 3/20 0.47
ABCB1 P08183 2/20 0.46
GCK P35557 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
SCHEMBL1107670 0.88 KMT2A (0.56) KMT2AGCK
SCHEMBL1107687 0.86 SMN1; SMN2 (0.49) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL12742943 0.85 GCK (0.48) ALDH1A1GCK
SCHEMBL12742894 0.83 GCK (0.61) GCK
SCHEMBL1263418 0.82 GCK (0.60) NPC1RAB9AKMT2AGCK
SCHEMBL12742920 0.81 GCK (0.54) ALDH1A1GCK
SCHEMBL12594260 0.81 GCK (0.47) MTNR1AMTNR1BMEN1KMT2AGCK
SCHEMBL1140707 0.80 GCK (0.61) MAOBGCK
SCHEMBL12742905 0.80 GCK (0.61) MAOBGCK
SCHEMBL10989419 0.80 KMT2A (0.53) MAOBALDH1A1NPC1RAB9AMEN1

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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MAOB 2842/4885MTNR1A 2005/4885MTNR1B 1467/4885

“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.