SCHEMBL9072149

SCHEMBL9072149

CC(C)CCOc1ccccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
XDH P47989 2/20 0.49
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
MAOA P21397 1/20 0.47
HTR2B P41595 1/20 0.47
AR P10275 1/20 0.46
USP2 O75604 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
IDO1 P14902 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
SCHEMBL10203011 0.92 SMN1; SMN2 (0.51) MAPK1SMN1; SMN2ALDH1A1HTTXDH
SCHEMBL6539807 0.83 HTT (0.54) MAPK1SMN1; SMN2ALDH1A1HTTXDH
SCHEMBL28867053 0.83 HTT (0.50) MAPK1SMN1; SMN2ALDH1A1HTTXDH
SCHEMBL1667585 0.82 HTR1A (0.56) MAPK1SMN1; SMN2ALDH1A1XDHHTR1A
1,2-Diisopentoxybenzene SCHEMBL2843498 0.81 HTT (0.62) MAPK1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL27581075 0.81 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2ALDH1A1HTTHTR1A
SCHEMBL973234 0.80 ALDH1A1 (0.54) MAPK1SMN1; SMN2ALDH1A1HTR1AADRA2A
SCHEMBL10991288 0.79 HTR1B (0.57) MAPK1SMN1; SMN2ALDH1A1HTR1AADRA2A
SCHEMBL828475 0.79 AR (0.53) MAPK1SMN1; SMN2ALDH1A1HTR1AADRA2A
SCHEMBL1444254 0.79 CYP1A2 (0.55) MAPK1SMN1; SMN2ALDH1A1HTR1AADRA2A

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
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 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 (2 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-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MAPK1 1276/4885SMN1; SMN2 4119/4885ALDH1A1 1527/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MAPK1 1276/4885SMN1; SMN2 4119/4885ALDH1A1 1527/4885

“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.