SCHEMBL19939013

SCHEMBL19939013

S=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)Oc1c3c5c(c(c12)O4)Oc1cccc2c1P5(=S)c1c(cccc1N2c1ccccc1)O3

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30
GAA P10253 1/20 0.30
CES1 P23141 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19938470 0.90 P2RX4 (0.33) CES2ALDH1A1BCHEGAACES1
SCHEMBL19938440 0.90 P2RX4 (0.33) CES2ALDH1A1BCHEGAACES1
SCHEMBL19939017 0.88 CES2 (0.30) CES2ALDH1A1BCHEGAACES1
SCHEMBL19939032 0.88 CES2 (0.30) CES2ALDH1A1BCHEGAACES1
SCHEMBL19939059 0.86
SCHEMBL19939012 0.85 CES2 (0.30) CES2ALDH1A1BCHEGAACES1
SCHEMBL19938452 0.85
SCHEMBL19939005 0.84 CES2 (0.33) CES2ALDH1A1BCHEGAACES1
SCHEMBL19939058 0.84
SCHEMBL19939046 0.84

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-09 US disclosed
US-10686141-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-16 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 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 (4 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-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CES2 2597/4885ALDH1A1 3566/4885BCHE 3077/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CES2 2597/4885ALDH1A1 3566/4885BCHE 3077/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CES2 2597/4885ALDH1A1 3566/4885BCHE 3077/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CES2 2597/4885ALDH1A1 3566/4885BCHE 3077/4885

“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.