SCHEMBL804326

SCHEMBL804326

CC(C)(OC=O)Oc1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.49
EPHX2 P34913 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARG P37231 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FABP2 P12104 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
FAAH O00519 1/20 0.43
IDH1 O75874 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16302959 1.00 PPARA (0.49) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL16303954 0.88 PPARA (0.61) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL805971 0.88 PPARA (0.61) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL804816 0.88 TRPV1 (0.46) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL804331 0.88 EPHX2 (0.47) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL16743456 0.86 EPHX2 (0.47) PPARAEPHX2MEN1KMT2AMAPT
SCHEMBL804706 0.86 PPARA (0.42) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL804724 0.85 PGR (0.50) PPARAEPHX2MEN1KMT2APPARG
SCHEMBL1304683 0.84 PPARA (0.61) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL804308 0.83 GAA (0.45) PPARAMEN1KMT2ACYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040553-B2 Phenoxyisobutyric acid compounds and method of synthesis Cell Viable Corporation (US) 2015-05-26 US disclosed
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS LALEZARI IRAJ (US) 2014-11-27 US disclosed
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2012-03-22 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 (2 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-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS AGER, BPGM, PDXK PPARA 262/4885EPHX2 1218/4885MEN1 2478/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK PPARA 329/4885EPHX2 1362/4885MEN1 2627/4885

“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.