SCHEMBL22100271

SCHEMBL22100271

CCCc1c(C(=O)C(C)C)noc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.42
GRIA3 P42263 2/20 0.42
P2RX7 Q99572 10/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PPARA Q07869 2/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.31
POLB P06746 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL17471261 0.81 GRIA1 (0.50) GRIA1GRIA3P2RX7GRIA2GRIA4
SCHEMBL3179817 0.79 GRIA1 (0.44) GRIA1GRIA3P2RX7GRIA2GRIA4
SCHEMBL3189524 0.71 GRIA1 (0.43) GRIA1GRIA3GRIA2GRIA4L3MBTL1
SCHEMBL8237746 0.68 LMNA (0.44) ALDH1A1L3MBTL1
SCHEMBL23869397 0.67 P2RX7 (0.48) P2RX7ALDH1A1L3MBTL1
SCHEMBL5451073 0.66 GRIA1 (0.60) GRIA1GRIA3RAB9AGRIA2GRIA4
SCHEMBL17472045 0.66 GRIA1 (0.44) GRIA1GRIA3GRIA2GRIA4ALDH1A1
SCHEMBL9057892 0.65 LMNA (0.31)
SCHEMBL3179822 0.65 NOS2 (0.41) GRIA1GRIA3
SCHEMBL3170099 0.65 GRIA1 (0.46) GRIA1GRIA3GRIA2GRIA4ALDH1A1

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-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
US-20200190019-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-18 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA GRIA1 762/4885GRIA3 947/4885P2RX7 748/4885
US-20200190019-A1 PPAR AGONISTS PPARG, PPARD, PPARA GRIA1 762/4885GRIA3 947/4885P2RX7 748/4885

“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.