SCHEMBL5449463

SCHEMBL5449463

C=CC(=O)OCCCC.C=CC(=O)Oc1cccc2cc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ THRB P10828 4/20 0.50
▸ THRA P10827 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
Acrylic Acid Ethyl Ester SCHEMBL5443556 0.88 THRB (0.45) HPGDTHRBTHRAL3MBTL1GAA
SCHEMBL561617 0.85 TYMS (0.45) HPGDTHRBTHRATDP1L3MBTL1
SCHEMBL29733295 0.84 TYMS (0.44) HPGDTHRBTHRATDP1L3MBTL1
SCHEMBL29733364 0.84 TYMS (0.44) HPGDTHRBTHRATDP1L3MBTL1
SCHEMBL29733319 0.84 TYMS (0.44) HPGDTHRBTHRATDP1L3MBTL1
SCHEMBL28383712 0.83 ELANE (0.55) TSHRHPGDTDP1L3MBTL1ELANE
SCHEMBL28807904 0.82 THRB (0.48) TSHRHPGDTHRBTHRATDP1
SCHEMBL27722932 0.82 TYMS (0.43) HPGDTHRBTHRATDP1L3MBTL1
SCHEMBL28375408 0.82 ELANE (0.54) TSHRHPGDTDP1L3MBTL1ELANE
SCHEMBL15303058 0.80 THRB (0.58) TSHRHPGDTHRBTDP1GAA

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 TSHR 4242/4885HPGD 2626/4885THRB 4244/4885

“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.

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