SCHEMBL804331

SCHEMBL804331

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
EPHX1 P07099 6/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.45
PPARA Q07869 8/20 0.44
LMNA P02545 1/20 0.43
PPARG P37231 2/20 0.42
PPARD Q03181 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL804326 0.88 PPARA (0.49) EPHX2ALDH1A1KMT2APPARALMNA
SCHEMBL16302959 0.88 PPARA (0.49) EPHX2ALDH1A1KMT2APPARALMNA
SCHEMBL16743458 0.86 EPHX1 (0.63) EPHX2EPHX1ALDH1A1HTTKMT2A
SCHEMBL1355863 0.84 EPHX1 (0.60) EPHX2EPHX1ALDH1A1HTTKMT2A
SCHEMBL804816 0.80 TRPV1 (0.46) ALDH1A1KMT2APPARAPPARGPPARD
SCHEMBL16743456 0.78 EPHX2 (0.47) EPHX2ALDH1A1KMT2APPARAMEN1
SCHEMBL804308 0.77 GAA (0.45) ALDH1A1KMT2APPARAPPARGMEN1
SCHEMBL805971 0.77 PPARA (0.61) EPHX2ALDH1A1KMT2APPARALMNA
SCHEMBL16303954 0.77 PPARA (0.61) EPHX2ALDH1A1KMT2APPARALMNA
SCHEMBL804724 0.77 PGR (0.50) EPHX2ALDH1A1KMT2APPARAPPARG

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 EPHX2 1218/4885EPHX1 1653/4885ALDH1A1 939/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK EPHX2 1362/4885EPHX1 1641/4885ALDH1A1 886/4885

“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.