SCHEMBL21453612

SCHEMBL21453612

O=c1c2ccccc2oc2cc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.47
TTR P02766 2/20 0.46
MAOA P21397 5/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL17752241 0.91 PTGER4 (0.46) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL17752245 0.91 PTGER4 (0.46) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL17752247 0.89 MAOA (0.43) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL17752249 0.88 MAOA (0.42) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL19318084 0.88 PTGER4 (0.44) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL21453345 0.88 ALDH1A1 (0.39) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL17752238 0.87 PTGER4 (0.41) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL17752251 0.87 PTGER4 (0.41) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL17536167 0.86 MAOA (0.47) PTGER4TTRMAOAKDM4EALDH1A1
SCHEMBL29358066 0.86 MAOA (0.47) PTGER4TTRMAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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 (1 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 PTGER4 2858/4885TTR 3789/4885MAOA 957/4885

“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.