SCHEMBL6778474

SCHEMBL6778474

Cc1cc(C(C)(C)C)ccc1NC(=O)CN(Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1)Cc1ocnc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.52
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
PTBP1 P26599 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NR1D1 P20393 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6780240 0.91 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6776024 0.88 PPARA (0.44) PPARAPPARGPPARDALDH1A1
SCHEMBL6784723 0.87 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL6781893 0.83 PPARA (0.42) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL6776716 0.82 PPARA (0.57) PPARAPPARGPPARDLMNAPTBP1
SCHEMBL6778258 0.81 PPARA (0.48) PPARAPPARGPPARDMAPTLMNA
SCHEMBL6785049 0.79 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL6778924 0.78 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6778232 0.76 PPARA (0.34) PPARAPPARGPPARDMAPTLMNA
SCHEMBL6780604 0.75 PPARA (0.53) PPARAPPARGPPARDLMNAPTBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 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 (3 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG PPARA 1/4885PPARG 3/4885PPARD 2/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.