SCHEMBL1066397

SCHEMBL1066397

CCOC(=O)/C=C(/CBr)Oc1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1B P49286 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B1 P14061 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B2 P37059 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL1066400 1.00 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL1066395 1.00 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL1066267 0.90 KDM4E (0.43) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL1066269 0.90 KDM4E (0.43) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL1068138 0.88 LMNA (0.49) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL1068139 0.88 LMNA (0.49) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL1068137 0.88 LMNA (0.49) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL1064371 0.87 ALDH1A1 (0.45) ALDH1A1TSHRLMNACYP1A2CYP2C9
SCHEMBL1064372 0.87 ALDH1A1 (0.45) ALDH1A1TSHRLMNACYP1A2CYP2C9
SCHEMBL1064370 0.87 ALDH1A1 (0.45) ALDH1A1TSHRLMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885MAPK1 1010/4885TSHR 3084/4885

“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.