SCHEMBL4556065

SCHEMBL4556065

O=C(O)CC1C/C(=C\c2ccc3ccccc3c2)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTGS1 P23219 1/20 0.36
RXRA P19793 1/20 0.35
AKR1B1 P15121 1/20 0.35
TBXA2R P21731 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
SCHEMBL10135329 0.87 PPARG (0.49) PPARGPTGS1RXRA
SCHEMBL4556106 0.83 PPARG (0.48) PPARGLMNAPTGS1RXRAAKR1B1
SCHEMBL4556253 0.83 PPARG (0.48) PPARGPTGS1RXRAAKR1B1
SCHEMBL10134840 0.83 PPARG (0.51) PPARGLMNASMN1; SMN2AKR1B1
SCHEMBL10135257 0.83 PPARG (0.51) PPARGLMNA
SCHEMBL4556264 0.81 PPARG (0.50) PPARGDHODHLMNAPTGS1
SCHEMBL4556250 0.81 PPARG (0.50) PPARGHDAC1PTGS1RXRA
SCHEMBL4556091 0.80 PPARG (0.51) PPARGPTGS1RXRA
SCHEMBL10134925 0.80 PPARG (0.53) PPARGPTGS1RXRA
SCHEMBL10134792 0.80 PPARG (0.53) PPARGPTGS1RXRATBXA2R

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 9/4885DHODH 3190/4885LMNA 2389/4885

“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.