SCHEMBL3538173

SCHEMBL3538173

O=C1CCCC(c2ccc(OCc3ccccc3)cc2)C1.OB(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 1/20 0.40
DHODH Q02127 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CYP1A2 P05177 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3542422 0.91 CYP3A4 (0.48) CYP2C19CYP3A4CYP2C9MRGPRX4HRH3
SCHEMBL24798064 0.83 MRGPRX4 (0.50) CYP2C19MRGPRX4KCNH2SMN1; SMN2GAA
SCHEMBL2149901 0.83 MRGPRX4 (0.50) CYP2C19MRGPRX4KCNH2SMN1; SMN2GAA
SCHEMBL2150597 0.83 MRGPRX4 (0.50) CYP2C19MRGPRX4KCNH2SMN1; SMN2GAA
SCHEMBL9419127 0.78 GRIN1 (0.48) CYP2C19CYP3A4CYP2C9KCNH2MAOB
SCHEMBL142665 0.76 LMNA (0.66) CYP2C19SMN1; SMN2GAAMAPTRAB9A
SCHEMBL6435972 0.76 CYP2C19 (0.46) CYP2C19CYP3A4CYP2C9HRH3SMN1; SMN2
SCHEMBL4331848 0.75 MRGPRX4 (0.56) CYP2C19MRGPRX4HRH3KCNH2SMN1; SMN2
SCHEMBL3547405 0.75 MRGPRX4 (0.48) MRGPRX4HRH3KMT2AKCNH2KDM4E
SCHEMBL3547404 0.75 MRGPRX4 (0.48) MRGPRX4HRH3KMT2AKCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 CYP2C19 214/4885CYP3A4 551/4885CYP2C9 251/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CYP2C19 228/4885CYP3A4 544/4885CYP2C9 285/4885

“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.