SCHEMBL5450038

SCHEMBL5450038

C=C(CC)C(=O)OOC(=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.49
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
PTPN1 P18031 1/20 0.43
PLK1 P53350 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CNR1 P21554 2/20 0.42

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
SCHEMBL28658367 0.88 CDC25B (0.51) CDC25BKMT2APOLBGAAKDM4E
SCHEMBL29990575 0.81 NR4A1 (0.63) CDC25BKMT2APOLBGAAKDM4E
SCHEMBL5987790 0.81 NR4A1 (0.63) CDC25BKMT2APOLBGAAKDM4E
SCHEMBL5452451 0.80 KDM4E (0.44) CDC25BKMT2APOLBGAAKDM4E
Alcohol SCHEMBL27587649 0.80 CDC25B (0.58) CDC25BKMT2APOLBGAAKDM4E
SCHEMBL446402 0.79 TSHR (0.47) KMT2AGAAKDM4EALDH1A1MEN1
SCHEMBL28483908 0.79 NR4A1 (0.61) CDC25BKMT2APOLBGAAKDM4E
SCHEMBL1336289 0.79 ALDH1A1 (0.55) KMT2AGAAKDM4EALDH1A1MEN1
SCHEMBL5059356 0.77 NR4A1 (0.53) CDC25BKMT2APOLBGAAKDM4E
SCHEMBL559036 0.76 KMT2A (0.49) CDC25BKMT2APOLBGAAKDM4E

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 CDC25B 1232/4885KMT2A 4355/4885POLB 2677/4885

“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.