SCHEMBL5452455

SCHEMBL5452455

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
GLA P06280 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 11/20 0.34
ABCG2 Q9UNQ0 10/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL14343101 0.83 WDR5 (0.42) KDM4EALDH1A1HPGDGLAMEN1
SCHEMBL5450046 0.81 ADRB2 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11636414 0.78 HCAR2 (0.39) KDM4EALDH1A1HPGDGLAMEN1
SCHEMBL13159363 0.78 ALDH1A1 (0.38) KDM4EALDH1A1HPGDGLAMEN1
SCHEMBL301790 0.77 TSHR (0.43) KDM4EALDH1A1KMT2AHSD17B10L3MBTL1
SCHEMBL434162 0.76 TSHR (0.49) ALDH1A1MEN1KMT2ACYP1A2LMNA
SCHEMBL8982606 0.75 RAB9A (0.42) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL14440746 0.74 THRB (0.51) KDM4EALDH1A1HPGDGLAMEN1
SCHEMBL1561008 0.73 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5452453 0.73 KDM4E (0.47) KDM4EALDH1A1HPGDGLAMEN1

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.