SCHEMBL2301094

SCHEMBL2301094

CC(C)(C)C(=O)Nc1ccccc1[O]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PDK1 Q15118 4/20 0.45
PDK2 Q15119 4/20 0.45
PDK3 Q15120 4/20 0.45
PDK4 Q16654 4/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL5706504 0.87 CETP (0.71) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL2087952 0.83 CETP (0.67) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL992825 0.81 CETP (1.00) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL13212420 0.80 CETP (0.73) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL3785961 0.80 CETP (0.58) CETPL3MBTL1KDM4ELMNARAB9A
SCHEMBL397003 0.80 PDK1 (0.67) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL8243174 0.80 CETP (0.62) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL1524281 0.78 CETP (0.61) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL3535796 0.78 PDK1 (0.68) CETPL3MBTL1LMNARAB9AMEN1
SCHEMBL1524283 0.78 CETP (0.61) CETPL3MBTL1KDM4ELMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 US disclosed
EP-0428899-B1 Use of magenta couplers exhibiting reduced stain FUJI PHOTO FILM CO LTD (JP) 1997-10-01 EP disclosed
EP-0428899-A2 Silver halide color photographic material and method for processing thereof FUJI PHOTO FILM CO., LTD. (JP) 1991-05-29 EP 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG CETP 79/4885L3MBTL1 3993/4885KDM4E 3040/4885

“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.