SCHEMBL5450046

SCHEMBL5450046

C=CC(=O)OC(C)OC(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PLK1 P53350 1/20 0.42
CDC25B P30305 3/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MMP3 P08254 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL301790 0.87 TSHR (0.43) ADRB2ADRB1ADRB3KMT2AKDM4E
SCHEMBL8993412 0.81 LMNA (0.49) ADRB2ADRB1ADRB3KMT2AGAA
SCHEMBL20481917 0.81 TSHR (0.45) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL17924927 0.81 TSHR (0.39) ADRB2ADRB1ADRB3KMT2AKDM4E
SCHEMBL301791 0.81 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1HPGDHDAC8
SCHEMBL14343101 0.81 WDR5 (0.42) KMT2ANR4A1NR4A2NR4A3CDC25B
SCHEMBL5452455 0.81 KDM4E (0.42) KMT2AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL1561008 0.79 ALDH1A1 (0.43) KMT2AGAAKDM4EALDH1A1HPGD
SCHEMBL2119530 0.79 NPC1 (0.55) ADRB2ADRB1ADRB3KMT2APOLB
SCHEMBL8961890 0.78 ALDH1A1 (0.47) KMT2AGAAKDM4EALDH1A1HPGD

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-9149440-B2 Nanoparticles for drug-delivery UNIVERSITY OF SOUTH FLORIDA (US) 2015-10-06 US disclosed
US-20070190160-A1 Nanoparticles for drug-delivery UNIVERSITY OF SOUTH FLORIDA 2007-08-16 US disclosed
WO-2005020933-A2 NANOPARTICLES FOR DRUG-DELIVERY UNIVERSITY OF SOUTH FLORIDA (US) 2005-03-10 WO 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 (1 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-20070190160-A1 Nanoparticles for drug-delivery EPCAM, TUBB1, ACTB ADRB2 1754/4885ADRB1 1539/4885ADRB3 1070/4885

“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.