SCHEMBL19939092

SCHEMBL19939092

O=P12c3c4cccc3N(c3ccccc3)c3cc5c6c7c(cc5c(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1)N(c1ccccc1)c1cccc2c1P7(=O)c1c(cccc1N6c1ccccc1)N2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
CES2 O00748 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.33
MGLL Q99685 1/20 0.32

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
SCHEMBL19939096 0.93 ALDH1A1 (0.35) GAACES2ALDH1A1BCHECES1
SCHEMBL19939102 0.89 CES2 (0.32) GAACES2ALDH1A1BCHECES1
SCHEMBL19938559 0.88 CES2 (0.33) GAACES2ALDH1A1BCHECES1
SCHEMBL19938495 0.88 CES2 (0.33) GAACES2ALDH1A1BCHECES1
SCHEMBL19939095 0.87 ELANE (0.36) ALDH1A1MGLL
SCHEMBL22096185 0.87 CYP1A2 (0.39) GAACES2ALDH1A1BCHECES1
SCHEMBL19939100 0.86 P2RX4 (0.30)
SCHEMBL19938484 0.85 POLB (0.33) GAACES2ALDH1A1BCHECES1
SCHEMBL19939054 0.85 ALDH1A1 (0.42) GAACES2ALDH1A1BCHECES1
SCHEMBL19939124 0.85 CES2 (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.