SCHEMBL6780586

SCHEMBL6780586

Cc1ccc(NCc2ccc(CC(C)(C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 2/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
BLM P54132 1/20 0.53
PLEC Q15149 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FFAR1 O14842 2/20 0.52
HTT P42858 1/20 0.47

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
SCHEMBL27581203 0.88 CA1 (0.45) MAPTL3MBTL1GAAALDH1A1MEN1
SCHEMBL6777966 0.87 FFAR1 (0.50) MEN1KMT2AFFAR1CA1CA2
SCHEMBL6778826 0.82 FFAR1 (0.61) MAPTL3MBTL1GAAALDH1A1MEN1
SCHEMBL11530777 0.77 HPGD (0.45) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23582696 0.75 CA2 (0.46) KDM4EBLMCA2LMNA
SCHEMBL10055032 0.74 MAPT (0.80) MAPTL3MBTL1GAAALDH1A1MEN1
SCHEMBL2005375 0.74 MAPT (0.80) MAPTL3MBTL1GAAALDH1A1MEN1
SCHEMBL5256182 0.74 CTSS (0.41) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL7091384 0.74 MMP8 (0.46) ALDH1A1CA1CA12SMN1; SMN2LMNA
SCHEMBL12659178 0.73 BLM (0.47) MAPTGAAALDH1A1MEN1KMT2A

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 MAPT 4388/4885L3MBTL1 4341/4885GAA 1063/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG MAPT 4503/4885L3MBTL1 4392/4885GAA 1680/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG MAPT 4503/4885L3MBTL1 4392/4885GAA 1680/4885

“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.