SCHEMBL5452453

SCHEMBL5452453

C=C(C(=O)O)C(C)OC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
GLA P06280 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL5450043 0.80 NR4A1 (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10582027 0.77 TSHR (0.52) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL4354480 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5452455 0.73 KDM4E (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10559440 0.71 ALDH1A1 (0.59) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5957199 0.71 ALDH1A1 (0.64) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1829907 0.71 PPARG (0.51) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6940992 0.70 ALDH1A1 (0.63) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL31240530 0.70 ALDH1A1 (0.63) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL27647578 0.70 ALDH1A1 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1

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 KDM4E 4213/4885ALDH1A1 897/4885HPGD 2626/4885

“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.