SCHEMBL6774585

SCHEMBL6774585

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
CYP2C19 P33261 1/20 0.41
CNR1 P21554 4/20 0.40
TSPO P30536 3/20 0.40
KMT2A Q03164 2/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.36
KDM1A O60341 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6778001 0.92 TSPO (0.43) CNR2TSPOKMT2APPARGLMNA
SCHEMBL6777596 0.87 CNR2 (0.38) CNR2CYP2C19CNR1TSPOKMT2A
SCHEMBL28301396 0.83 CYP2C19 (0.61) CNR2CYP2C19CNR1TSPOPPARG
SCHEMBL6780662 0.81 TSPO (0.40) CNR2TSPOPPARGLMNAPOLB
SCHEMBL6778743 0.78 PPARA (0.54) KMT2APPARGLMNAPOLBTP53
SCHEMBL6486223 0.78 NR1H2 (0.54) LMNA
SCHEMBL17700288 0.76 TSHR (0.54) CNR2CYP2C19TSPOPPARGLMNA
SCHEMBL6775198 0.76 CYP2C19 (0.41) CNR2CYP2C19CNR1TSPOKDM1A
SCHEMBL6778816 0.76 PPARA (0.46) CYP2C19PPARGLMNAPOLBMAPT
SCHEMBL4457891 0.76 BLM (0.47) KMT2APPARGRAB9A

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 CNR2 287/4885CYP2C19 1392/4885CNR1 340/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG CNR2 511/4885CYP2C19 2278/4885CNR1 572/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG CNR2 511/4885CYP2C19 2278/4885CNR1 572/4885

“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.