SCHEMBL12469225

SCHEMBL12469225

CCOC(=O)CC(O)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.40
UGT2B7 P16662 2/20 0.40
CYP2D6 P10635 1/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
RECQL P46063 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL10990788 0.88 UGT2B7 (0.45) TSHRLMNAPOLBALDH1A1UGT2B7
SCHEMBL5682017 0.83 CYP2D6 (0.47) TSHRLMNAALDH1A1UGT2B7CYP2D6
SCHEMBL13681637 0.83 CYP2D6 (0.47) TSHRLMNAALDH1A1UGT2B7CYP2D6
SCHEMBL7040044 0.78 UGT2B7 (0.39) TSHRLMNAALDH1A1UGT2B7CYP2D6
SCHEMBL7040043 0.78 UGT2B7 (0.39) TSHRLMNAALDH1A1UGT2B7CYP2D6
SCHEMBL8948028 0.77 PIK3CD (0.40) ALDH1A1TDP1
SCHEMBL24869876 0.75 ALDH1A1 (0.59) TSHRLMNAPOLBALDH1A1RAB9A
SCHEMBL22952773 0.75 UGT2B7 (0.44) TSHRALDH1A1UGT2B7CYP2D6L3MBTL1
SCHEMBL31555479 0.75 GAA (0.47) TSHRALDH1A1UGT2B7CYP2D6L3MBTL1
SCHEMBL31547177 0.74 ALDH1A1 (0.47) TSHRLMNAPOLBALDH1A1RAB9A

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-2627654-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES Takeda California, Inc. (US) 2013-08-21 EP disclosed
US-20130197229-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES TAKEDA CALIFORNIA, INC. 2013-08-01 US disclosed
US-20130197229-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES TAKEDA CALIFORNIA, INC. 2013-08-01 US disclosed
US-20130197229-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES TAKEDA CALIFORNIA, INC. 2013-08-01 US disclosed
WO-2012051450-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 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-20130197229-A1 METHOD OF MAKING AZAINDAZOLE DERIVATIVES GCK, GALK1, GCKR TSHR 3278/4885LMNA 4377/4885POLB 3341/4885

“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.