SCHEMBL19938523

SCHEMBL19938523

O=P12c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.37
GAA P10253 2/20 0.35
CES2 O00748 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
MGLL Q99685 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL19938610 0.97 P2RX4 (0.37) P2RX4GAACES2ALDH1A1BCHE
SCHEMBL19938532 0.91 PDE6D (0.40) P2RX4ALDH1A1MGLL
SCHEMBL19939086 0.90 GAA (0.33) P2RX4GAACES2ALDH1A1BCHE
SCHEMBL19939076 0.90 GAA (0.37) P2RX4GAACES2ALDH1A1BCHE
SCHEMBL19939082 0.88 CES2 (0.33) P2RX4GAACES2ALDH1A1BCHE
SCHEMBL19939087 0.88 CES2 (0.33) P2RX4GAACES2ALDH1A1BCHE
SCHEMBL19938478 0.88 PDE6D (0.40) P2RX4ALDH1A1MGLL
SCHEMBL19939109 0.86 CES2 (0.32) P2RX4GAACES2ALDH1A1BCHE
SCHEMBL22195397 0.86 P2RX4 (0.31) P2RX4
SCHEMBL19939102 0.86 CES2 (0.32) P2RX4GAACES2ALDH1A1BCHE

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 P2RX4 1752/4885GAA 1697/4885CES2 2597/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 P2RX4 1752/4885GAA 1697/4885CES2 2597/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 P2RX4 1752/4885GAA 1697/4885CES2 2597/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 P2RX4 1752/4885GAA 1697/4885CES2 2597/4885

“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.