SCHEMBL14440784

SCHEMBL14440784

CC(=O)OCCOC(=O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
CDC25B P30305 2/20 0.57
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
DRD3 P35462 1/20 0.51
CDC25A P30304 1/20 0.50
CDC25C P30307 1/20 0.50
CACNA1B Q00975 2/20 0.49
APBA1 Q02410 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL786986 0.92 CDC25B (0.61) HRH3CDC25BALDH1A1KDM4EHPGD
SCHEMBL2119496 0.87 TSHR (0.72) HRH3CDC25BALDH1A1KDM4EHPGD
SCHEMBL2117339 0.85 ALDH1A1 (0.71) HRH3CDC25BALDH1A1KDM4ETSHR
SCHEMBL5030862 0.85 HRH3 (0.53) HRH3CDC25BALDH1A1KDM4EHPGD
SCHEMBL7137986 0.85 HRH3 (0.66) HRH3CDC25BALDH1A1KDM4ETSHR
SCHEMBL27540941 0.85 HRH3 (0.66) HRH3CDC25BALDH1A1KDM4EHPGD
SCHEMBL14000083 0.84 ADRB2 (0.56) HRH3CDC25BALDH1A1KDM4EHPGD
SCHEMBL15852963 0.84 TSHR (0.71) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL1737390 0.83 HRH3 (0.57) HRH3CDC25BALDH1A1KDM4EHPGD
SCHEMBL29534446 0.83 HRH3 (0.57) HRH3CDC25BALDH1A1KDM4EHPGD

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-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

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 HRH3 3880/4885CDC25B 1232/4885ALDH1A1 897/4885

“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.