SCHEMBL21453345

SCHEMBL21453345

O=c1c2ccc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)cc2oc2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
MAPK1 P28482 1/20 0.38
PTGER4 P35408 1/20 0.38
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 2/20 0.36
TTR P02766 1/20 0.35
MAOA P21397 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL21453612 0.88 PTGER4 (0.47) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL21453344 0.85 PTGER4 (0.38) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL17752238 0.81 PTGER4 (0.41) ALDH1A1CYP3A4PTGER4TTRMAOA
SCHEMBL17752251 0.81 PTGER4 (0.41) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL17752241 0.80 PTGER4 (0.46) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL17752245 0.80 PTGER4 (0.46) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL17752257 0.78 PTGER4 (0.37) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL17752247 0.78 MAOA (0.43) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL17752252 0.78 PTGER4 (0.37) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2
SCHEMBL19318084 0.77 PTGER4 (0.44) ALDH1A1CYP3A4PTGER4CYP11B1CYP11B2

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 ALDH1A1 569/4885CYP3A4 1243/4885CYP1A2 802/4885

“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.