SCHEMBL6777596

SCHEMBL6777596

CCOC(=O)CN(Cc1ccc(CC(C)(C)C(=O)OC(C)(C)C)cc1)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
CNR1 P21554 3/20 0.38
TSPO P30536 3/20 0.38
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT5B P51692 1/20 0.35
KDM1A O60341 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 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
SCHEMBL6780662 0.91 TSPO (0.40) CNR2TSPOKCNQ4KCNQ5LMNA
SCHEMBL6775198 0.87 CYP2C19 (0.41) CNR2CNR1TSPOCYP2C19STAT5B
SCHEMBL6774585 0.87 CNR2 (0.43) CNR2CNR1TSPOCYP2C19LMNA
SCHEMBL6778684 0.81 PPARA (0.49) KCNQ4KCNQ5LMNAKMT2APPARG
SCHEMBL6778001 0.79 TSPO (0.43) CNR2TSPOLMNAKMT2APPARG
SCHEMBL28301396 0.78 CYP2C19 (0.61) CNR2CNR1TSPOCYP2C19LMNA
SCHEMBL6775457 0.78 NR3C1 (0.40) TSPO
SCHEMBL27579279 0.77 KCNQ4 (0.36) TSPOKCNQ4KCNQ5KDM1A
SCHEMBL6780245 0.77 PPARA (0.40) KCNQ4KCNQ5LMNAKMT2AMAPT
SCHEMBL6780257 0.75 PPARA (0.53) KCNQ4KCNQ5LMNAKMT2AMAPT

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 CNR2 287/4885CNR1 340/4885TSPO 982/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG CNR2 511/4885CNR1 572/4885TSPO 819/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG CNR2 511/4885CNR1 572/4885TSPO 819/4885

“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.