SCHEMBL6777845

SCHEMBL6777845

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
ELANE P08246 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2A6 P11509 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 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
SCHEMBL13793274 0.83 MMP8 (0.44) EPHX2NR1H4ALDH1A1NR3C1NR3C2
SCHEMBL5256182 0.80 CTSS (0.41) SMN1; SMN2LMNAKMT2AELANENPC1
SCHEMBL5642386 0.80 EPHX2 (0.45) EPHX2NR1H4ALDH1A1NR3C1NR3C2
SCHEMBL7091384 0.80 MMP8 (0.46) ALDH1A1SMN1; SMN2LMNACYP3A4CYP1A2
SCHEMBL31731175 0.79 PARP10 (0.45) EPHX2NR1H4ALDH1A1NR3C1NR3C2
SCHEMBL25262349 0.79 CA2 (0.44) EPHX2NR1H4ALDH1A1LMNAHPGD
SCHEMBL2721911 0.79 HTT (0.45) EPHX2NR1H4ALDH1A1SMN1; SMN2LMNA
SCHEMBL23582696 0.77 CA2 (0.46) LMNAADRB2ADRB1KDM4ECYP3A4
SCHEMBL23599358 0.75 MAPT (0.46) EPHX2NR1H4MAPTLMNAKMT2A
SCHEMBL28818571 0.75 BRS3 (0.47) EPHX2NR1H4KMT2AELANENPC1

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 EPHX2 1808/4885NR1H4 61/4885ALDH1A1 257/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG EPHX2 2848/4885NR1H4 99/4885ALDH1A1 550/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG EPHX2 2848/4885NR1H4 99/4885ALDH1A1 550/4885

“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.