SCHEMBL6036396

SCHEMBL6036396

COCOc1cc(O)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
ACHE P22303 1/20 0.38
PTPN1 P18031 1/20 0.38
RET P07949 1/20 0.38
KIF5B P33176 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APP P05067 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL12587297 0.85 BACE1 (0.43) BACE1MAOBPTPN1ESR1ESR2
SCHEMBL6099115 0.81 MAOB (0.53) BACE1MAOBTSHRCYP3A4GAA
SCHEMBL10111073 0.80 TSHR (0.51) SMN1; SMN2TSHRACHEGAATDP1
SCHEMBL1186397 0.80 RECQL (0.46) MAOBSMN1; SMN2TSHRCYP3A4RECQL
SCHEMBL9122395 0.79 BACE1 (0.46) BACE1MAOBKDRGAAAPP
SCHEMBL986851 0.79 BACE1 (0.46) BACE1MAOBRETKIF5BKDR
SCHEMBL16096116 0.79 BACE1 (0.46) BACE1MAOBRETKIF5BKDR
SCHEMBL9901812 0.78 GAA (0.41) BACE1SMN1; SMN2TSHRPTPN1GAA
SCHEMBL334082 0.78 SLC22A12 (0.40) SMN1; SMN2TSHRACHEPTPN1GAA
SCHEMBL6036124 0.78 BACE1 (0.48) BACE1MAOBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 BACE1 981/4885MAOB 954/4885SMN1; SMN2 4408/4885

“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.