SCHEMBL804724

SCHEMBL804724

CC(C)(OC=O)Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(OC(C)(C)C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.50
TRPV1 Q8NER1 4/20 0.49
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PPARA Q07869 5/20 0.44
FABP2 P12104 2/20 0.44
PPARG P37231 2/20 0.44
SLC22A12 Q96S37 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL804816 0.91 TRPV1 (0.46) PGRTRPV1RAB9ASMN1; SMN2NPC1
SCHEMBL16265332 0.90 PGR (0.60) PGRTRPV1RAB9ASMN1; SMN2NPC1
SCHEMBL16265137 0.86 TRPV1 (0.43) TRPV1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL16743457 0.85 NPC1 (0.59) TRPV1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL804326 0.85 PPARA (0.49) RAB9ASMN1; SMN2NPC1PPARAFABP2
SCHEMBL16302959 0.85 PPARA (0.49) RAB9ASMN1; SMN2NPC1PPARAFABP2
SCHEMBL16265333 0.82 PPARA (0.54) PGRTRPV1RAB9ASMN1; SMN2NPC1
SCHEMBL16743452 0.81 RAB9A (0.71) TRPV1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL16743652 0.81 NPC1 (0.64) TRPV1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL804329 0.81 DGAT1 (0.46) RAB9ASMN1; SMN2NPC1NR1H4PPARA

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 PGR 4399/4885TRPV1 3677/4885RAB9A 2312/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK PGR 4587/4885TRPV1 4155/4885RAB9A 2087/4885

“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.