SCHEMBL21453336

SCHEMBL21453336

c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2cnccc2n4-c2cccnc2)c2ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
METAP2 P50579 3/20 0.40
ALOX12 P18054 1/20 0.33
TCF4 P15884 1/20 0.33
CTNNB1 P35222 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
MDM2 Q00987 1/20 0.31
REN P00797 1/20 0.31
SRC P12931 1/20 0.30
FGFR1 P11362 1/20 0.30
ACHE P22303 2/20 0.30
GRIN1 Q05586 2/20 0.30

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
SCHEMBL21453337 0.92 CYP1A2 (0.42) CYP1A2METAP2ALOX12TCF4CTNNB1
SCHEMBL21453339 0.86 CYP1A2 (0.40) CYP1A2METAP2ALOX12TCF4CTNNB1
SCHEMBL21453955 0.84 CYP1A2 (0.40) CYP1A2METAP2ALOX12TCF4CTNNB1
SCHEMBL21453574 0.81 MAOA (0.36) CYP1A2METAP2KDM4EFGFR1ACHE
SCHEMBL21008864 0.80 CYP1A2 (0.39) CYP1A2METAP2HTT
SCHEMBL21008863 0.80 CYP1A2 (0.39) CYP1A2METAP2ALOX12
SCHEMBL21453570 0.79 CYP1A2 (0.33) CYP1A2METAP2
SCHEMBL21453372 0.78 KDM4E (0.33) CYP1A2METAP2ALDH1A1KDM4EKMT2A
SCHEMBL21453952 0.77 CYP1A2 (0.42) CYP1A2METAP2ALOX12TCF4CTNNB1
SCHEMBL21453693 0.77 MAOA (0.36) KDM4ERENFGFR1ACHEGRIN1

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 CYP1A2 802/4885METAP2 4394/4885ALOX12 892/4885

“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.