SCHEMBL19938211

SCHEMBL19938211

S=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.37
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
GRK5 P34947 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSPA1A P0DMV8 1/20 0.32
PABPC1 P11940 1/20 0.32
PDE6D O43924 1/20 0.31
CYP1A2 P05177 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
SCHEMBL19938995 0.92 GAA (0.38) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19938436 0.88 MGLL (0.44) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19938367 0.88 OPRK1 (0.35) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19938440 0.88 P2RX4 (0.33) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19938314 0.85 CES2 (0.30) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL22195346 0.85 CES2 (0.33) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL22195356 0.85 MAPT (0.48) ALDH1A1GAAHPGDMGLLMEN1
SCHEMBL19938470 0.84 P2RX4 (0.33) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19939044 0.82 CES2 (0.32) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19939007 0.82 ALDH1A1 (0.34) ALDH1A1GAANPSR1CES2BCHE

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 7 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-20210359208-A1 THERMALLY ACTIVATED DELAYED FLUORESCENT MATERIAL, METHOD OF FABRICATING SAME, AND ELECTROLUMINESCENT DEVICE WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-11-18 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 (5 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-20210359208-A1 THERMALLY ACTIVATED DELAYED FLUORESCENT MATERIAL, METHOD OF FABRICATING SAME, AND ELECTROLUMINESCENT DEVICE CD69, LRBA, NOTUM ALDH1A1 1254/4885GAA 1058/4885NPSR1 4742/4885
US-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885NPSR1 3158/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885NPSR1 3158/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885NPSR1 3158/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885NPSR1 3158/4885

“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.