SCHEMBL6035958

SCHEMBL6035958

CCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1c(C)cccc1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
GCGR P47871 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL6035076 0.94 GCGR (0.39) SMN1; SMN2HPGDLMNAKDM4EHTT
SCHEMBL6035913 0.93 SMN1; SMN2 (0.35) SMN1; SMN2HPGDLMNAKDM4EHTT
SCHEMBL6034691 0.93 SMN1; SMN2 (0.36) SMN1; SMN2HPGDLMNAKDM4EHTT
SCHEMBL6036437 0.91 PPARG (0.41) SMN1; SMN2LMNAKDM4EHTTMAPT
SCHEMBL6035590 0.87 GCGR (0.36) SMN1; SMN2HPGDLMNAKDM4EMAPT
SCHEMBL6035417 0.86 SMN1; SMN2 (0.36) SMN1; SMN2HPGDLMNAKDM4EHTT
SCHEMBL6035452 0.86 GCGR (0.35) SMN1; SMN2HPGDLMNAKDM4EMAPT
SCHEMBL6036258 0.86 SMN1; SMN2 (0.37) SMN1; SMN2HPGDLMNAKDM4EHTT
SCHEMBL6035873 0.85 GCGR (0.34) SMN1; SMN2HPGDLMNAKDM4EMAPT
SCHEMBL6035762 0.85 PPARG (0.40) SMN1; SMN2LMNAKDM4EGCGRPPARD

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 1 patent. 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

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 SMN1; SMN2 4408/4885HPGD 3297/4885LMNA 1816/4885

“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.