SCHEMBL6785236

SCHEMBL6785236

COCCNCc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARA Q07869 4/20 0.40
MEN1 O00255 2/20 0.40
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.40
CHEK1 O14757 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARD Q03181 1/20 0.38
CHRM2 P08172 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL4786341 0.86 PPARA (0.56) L3MBTL1KMT2AKDM4ETDP1PPARA
SCHEMBL6780088 0.85 PPARA (0.57) KMT2AKDM4EPPARAMEN1PPARG
SCHEMBL25963537 0.82 L3MBTL1 (0.55) L3MBTL1KMT2AKDM4ETDP1MEN1
SCHEMBL4575333 0.80 PPARA (0.48) KMT2AKDM4EPPARAMEN1PPARG
SCHEMBL4886701 0.79 L3MBTL1 (0.44) L3MBTL1KMT2AKDM4ETDP1MEN1
SCHEMBL1549155 0.77 CYP4F2 (0.47) KMT2APPARAMEN1PPARGGAA
SCHEMBL318984 0.76 PPARG (0.68) KMT2ATDP1PPARAMEN1PPARG
SCHEMBL14290115 0.76 L3MBTL1 (0.44) L3MBTL1KMT2AKDM4ETDP1PPARA
SCHEMBL7214361 0.76 PPARA (0.44) PPARAPPARGATMPPARDCHRM2
SCHEMBL4786343 0.75 KDM4E (0.44) L3MBTL1KMT2AKDM4ETDP1PPARA

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 L3MBTL1 4341/4885KMT2A 3323/4885KDM4E 3413/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG L3MBTL1 4392/4885KMT2A 4215/4885KDM4E 4055/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG L3MBTL1 4392/4885KMT2A 4215/4885KDM4E 4055/4885

“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.