SCHEMBL6780245

SCHEMBL6780245

COc1cc(C)c(NC(=O)CN(Cc2ccc(CC(C)(C)C(=O)OC(C)(C)C)cc2)c2ccc(C)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.40
LMNA P02545 2/20 0.39
PTBP1 P26599 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KCNQ4 P56696 2/20 0.35
KCNQ5 Q9NR82 2/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL6784287 0.93 ALDH1A1 (0.41) PPARALMNAPTBP1NPSR1HTT
SCHEMBL6778816 0.90 PPARA (0.46) PPARALMNAPTBP1POLBNPSR1
SCHEMBL6778684 0.88 PPARA (0.49) PPARALMNAPOLBHTTALDH1A1
SCHEMBL6778913 0.84 ALDH1A1 (0.44) PPARALMNAPTBP1NPSR1HTT
SCHEMBL6780257 0.83 PPARA (0.53) PPARALMNAPOLBNPSR1HTT
SCHEMBL6775521 0.79 PPARA (0.55) PPARAALDH1A1MEN1KMT2A
SCHEMBL6775198 0.78 CYP2C19 (0.41)
SCHEMBL6777596 0.77 CNR2 (0.38) LMNAMAPTKCNQ4KCNQ5KMT2A
SCHEMBL6778743 0.77 PPARA (0.54) PPARALMNAPOLBHTTALDH1A1
SCHEMBL6775958 0.72 PPARA (0.57) PPARALMNAPOLBNPSR1HTT

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 7 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
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP 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
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO 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 1/4885LMNA 2716/4885PTBP1 2580/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885LMNA 2961/4885PTBP1 2491/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885LMNA 2961/4885PTBP1 2491/4885

“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.