SCHEMBL2644673

SCHEMBL2644673

OCC(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL9019170 0.90 SLC1A3 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL6005456 0.90 SLC1A3 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL9019164 0.90 SLC1A3 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL5566637 0.88 RCE1 (0.51) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL6574317 0.86 PPARG (0.42) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL12694282 0.83 TSHR (0.44) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL15366358 0.82 TSHR (0.48) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL227684 0.82 TSHR (0.48) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL3276722 0.81 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL2182396 0.80 CA1 (0.47) TSHRSLC1A3SLC1A2SLC1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO disclosed
EP-0672405-B1 Hair treatment composition KAO CORP (JP) 2001-11-14 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 TSHR 3233/4885SLC1A3 1959/4885SLC1A2 1749/4885

“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.