SCHEMBL6779567

SCHEMBL6779567

COCCN(CC(=O)Nc1ccc(C(C)C)cc1C(F)(F)F)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.45
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
HCRTR2 O43614 4/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
GCGR P47871 1/20 0.34

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
SCHEMBL6784863 0.91 PPARA (0.55) PPARAALDH1A1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL6779016 0.91 PPARA (0.54) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6780911 0.90 PPARA (0.47) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6774971 0.87 ALDH1A1 (0.36) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6784501 0.85 PPARA (0.45) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6781893 0.83 PPARA (0.42) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6780874 0.82 PPARA (0.42) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6784803 0.81 PPARA (0.41) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6781395 0.80 PPARA (0.49) PPARAALDH1A1MEN1GAAKMT2A
SCHEMBL6784261 0.80 PPARA (0.57) PPARAALDH1A1MEN1GAAKMT2A

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 1/4885ALDH1A1 257/4885MEN1 4797/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885ALDH1A1 550/4885MEN1 4851/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885ALDH1A1 550/4885MEN1 4851/4885

“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.