SCHEMBL19938995

SCHEMBL19938995

S=P12c3c4cccc3N(c3ccccc3)c3c5c6c(c(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1)N(c1ccccc1)c1cccc2c1P6(=S)c1c(cccc1N5c1ccccc1)N2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
CES2 O00748 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.33
MGLL Q99685 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
GRK5 P34947 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL19938211 0.92 ALDH1A1 (0.38) GAACES2ALDH1A1BCHECES1
SCHEMBL19939007 0.89 ALDH1A1 (0.34) GAACES2ALDH1A1BCHECES1
SCHEMBL22195346 0.85 CES2 (0.33) GAACES2ALDH1A1BCHECES1
SCHEMBL19939005 0.85 CES2 (0.33) GAACES2ALDH1A1BCHECES1
SCHEMBL19939044 0.82 CES2 (0.32) GAACES2ALDH1A1BCHECES1
SCHEMBL19938509 0.82 PDE6D (0.33)
SCHEMBL19938436 0.81 MGLL (0.44) GAACES2ALDH1A1BCHECES1
SCHEMBL19939016 0.81 P2RX4 (0.31)
SCHEMBL19938440 0.81 P2RX4 (0.33) GAACES2ALDH1A1BCHECES1
SCHEMBL19938367 0.81 OPRK1 (0.35) GAACES2ALDH1A1BCHECES1

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 GAA 1697/4885CES2 2597/4885ALDH1A1 3566/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 GAA 1697/4885CES2 2597/4885ALDH1A1 3566/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 GAA 1697/4885CES2 2597/4885ALDH1A1 3566/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 GAA 1697/4885CES2 2597/4885ALDH1A1 3566/4885

“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.