SCHEMBL4190010

SCHEMBL4190010

COC(=O)C(C)(C)Oc1ccc(OCCCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HDAC3 O15379 5/20 0.53
HDAC4 P56524 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
PPARD Q03181 5/20 0.49
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL4191088 0.92 HDAC3 (0.52) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4194429 0.83 PPARD (0.54) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4184384 0.80 PPARD (0.63) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4193737 0.80 PPARD (0.63) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4182953 0.78 PPARD (0.54) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13774940 0.78 PPARD (0.65) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4187458 0.77 PPARD (0.69) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4188084 0.76 PPARD (0.51) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4196331 0.76 PPARD (0.51) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4187098 0.76 PPARD (0.47) L3MBTL1ALDH1A1HDAC3HDAC4HDAC1

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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD L3MBTL1 4410/4885ALDH1A1 1696/4885HDAC3 83/4885

“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.