SCHEMBL21453370

SCHEMBL21453370

c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc4c(n2)c2ncccc2n4-c2cccnc2)c2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
METAP2 P50579 2/20 0.32
ALOX12 P18054 1/20 0.32
GSR P00390 1/20 0.30
RAB9A P51151 1/20 0.30
TCF4 P15884 1/20 0.30
CTNNB1 P35222 1/20 0.30
HDAC6 Q9UBN7 1/20 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
SCHEMBL21453342 0.86 REN (0.30)
SCHEMBL21453531 0.85 CYP1A2 (0.32) CYP1A2METAP2ALOX12GSRRAB9A
SCHEMBL21453339 0.83 CYP1A2 (0.40) CYP1A2METAP2ALOX12RAB9ATCF4
SCHEMBL21008751 0.80 CYP1A2 (0.31) CYP1A2METAP2ALOX12GSR
SCHEMBL21453692 0.80 REN (0.30)
SCHEMBL21453573 0.80 KDM4E (0.33)
SCHEMBL21008882 0.80 EGLN1 (0.33) CYP1A2METAP2ALOX12GSR
SCHEMBL21008745 0.78 HTT (0.34) CYP1A2METAP2GSR
SCHEMBL21008863 0.78 CYP1A2 (0.39) CYP1A2METAP2ALOX12
SCHEMBL21008864 0.78 CYP1A2 (0.39) CYP1A2METAP2

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.