SCHEMBL804816

SCHEMBL804816

CC(C)(OC=O)Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC(C)(C)C(=O)O)cc3)cc(C(=O)Nc3ccc(OC(C)(C)C(=O)O)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
PPARA Q07869 10/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 3/20 0.44
FABP2 P12104 2/20 0.44
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL16265137 0.92 TRPV1 (0.43) TRPV1PPARAMEN1KMT2ACYP1A2
SCHEMBL804724 0.91 PGR (0.50) TRPV1PPARAMEN1KMT2APPARG
SCHEMBL16265333 0.91 PPARA (0.54) TRPV1PPARAMEN1KMT2ACYP1A2
SCHEMBL804326 0.88 PPARA (0.49) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16302959 0.88 PPARA (0.49) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16743455 0.85 PPARA (0.50) TRPV1PPARAMEN1KMT2ACYP1A2
SCHEMBL804329 0.84 DGAT1 (0.46) PPARAPPARGFABP2NPC1RAB9A
SCHEMBL16743457 0.83 NPC1 (0.59) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL16265334 0.82 TRPV1 (0.49) TRPV1PPARAMEN1KMT2ACYP1A2
SCHEMBL9130742 0.82 PPARA (0.59) TRPV1PPARAMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV1 3677/4885PPARA 262/4885MEN1 2478/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK TRPV1 4155/4885PPARA 329/4885MEN1 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.