SCHEMBL804703

SCHEMBL804703

CC(C)(Oc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.74
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CYP2C9 P11712 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C19 P33261 1/20 0.64
TACR3 P29371 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
RUVBL1 Q9Y265 1/20 0.59

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
SCHEMBL14970890 0.83 CYP3A4 (0.78) CYP3A4MEN1KMT2AMAPTTACR3
SCHEMBL14970875 0.83 CYP3A4 (1.00) CYP3A4MEN1KMT2ACYP2C9MAPT
SCHEMBL804472 0.81 CYP3A4 (0.50) CYP3A4MEN1KMT2ANPC1
SCHEMBL804704 0.81 KMT2A (0.52) CYP3A4MEN1KMT2ACYP2C9CYP1A2
SCHEMBL23722908 0.79 CYP3A4 (1.00) CYP3A4MEN1KMT2ACYP2C9CYP1A2
SCHEMBL17689194 0.79 CYP3A4 (0.77) CYP3A4MEN1KMT2ACYP2C9CYP1A2
SCHEMBL13253440 0.78 CYP3A4 (0.65) CYP3A4MEN1KMT2ACYP2C9MAPT
SCHEMBL438393 0.78 DGAT1 (0.63) CYP3A4MEN1KMT2ACYP2C9CYP1A2
SCHEMBL28844490 0.78 TACR3 (0.82) CYP3A4MEN1KMT2ACYP2C9CYP1A2
SCHEMBL28844487 0.78 TACR3 (0.91) CYP3A4MEN1KMT2AMAPTTACR3

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 6 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-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-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
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 CYP3A4 390/4885MEN1 2478/4885KMT2A 1910/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK CYP3A4 1030/4885MEN1 2627/4885KMT2A 2270/4885

“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.