SCHEMBL21396699

SCHEMBL21396699

C[Si](C)(c1ccc(-n2c3ccccc3c3ccccc32)nc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IMPDH2 P12268 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ATM Q13315 2/20 0.32
AR P10275 5/20 0.32
PLAUR Q03405 1/20 0.32
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
GRK6 P43250 1/20 0.31
GAA P10253 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
SCHEMBL21396730 0.87 ALDH1A1 (0.35) PTGER4ALDH1A1LMNAHPGDMAPK1
SCHEMBL21396692 0.81 PTGER4 (0.37) PTGER4ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL21396695 0.81 ALDH1A1 (0.36) PTGER4ALDH1A1LMNAHPGDMAPK1
SCHEMBL21397055 0.78 ALDH1A1 (0.39) PTGER4ALDH1A1LMNAHPGDMAPK1
SCHEMBL21396952 0.75 ALDH1A1 (0.39) PTGER4ALDH1A1LMNAHPGDMAPK1
SCHEMBL21396715 0.73 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396976 0.73 SLC22A12 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397119 0.73 HTR2A (0.37) PTGER4ALDH1A1LMNAHPGDMAPK1
SCHEMBL21396731 0.73 ALDH1A1 (0.36) PTGER4ALDH1A1LMNAHPGDMAPK1
SCHEMBL23342706 0.72 ALDH1A1 (0.37) PTGER4ALDH1A1LMNAHPGDSMN1; SMN2

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 PTGER4 2404/4885ALDH1A1 825/4885LMNA 1449/4885

“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.