SCHEMBL10134840

SCHEMBL10134840

O=C(O)CC1C/C(=C\c2cccc3ccccc23)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AKR1B1 P15121 3/20 0.39
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR1 O14842 2/20 0.35
GAA P10253 1/20 0.35
TTR P02766 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
SCHEMBL4556101 0.87 PPARG (0.51) PPARGAKR1B1CYP11B2FFAR1
SCHEMBL4556146 0.85 PPARG (0.55) PPARGMEN1KMT2ACYP11B2CYP19A1
SCHEMBL4556065 0.83 PPARG (0.51) PPARGAKR1B1LMNASMN1; SMN2
SCHEMBL10135329 0.80 PPARG (0.49) PPARGMEN1KMT2AMAPTFFAR1
SCHEMBL4556106 0.76 PPARG (0.48) PPARGMEN1KMT2AAKR1B1LMNA
SCHEMBL4556253 0.76 PPARG (0.48) PPARGAKR1B1MAPT
SCHEMBL4556264 0.75 PPARG (0.50) PPARGMEN1KMT2ALMNAMAPT
SCHEMBL4556250 0.75 PPARG (0.50) PPARGCYP11B2CYP19A1CYP11B1MAPT
SCHEMBL4556091 0.74 PPARG (0.51) PPARGMAPT
SCHEMBL10134792 0.73 PPARG (0.53) PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 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-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI PPARG 9/4885MEN1 4593/4885KMT2A 3835/4885

“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.