SCHEMBL22017313

SCHEMBL22017313

Bc1c(B)c(B)c(-c2cc(C#N)cc(C#N)c2)c(B)c1B

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.33
ALB P02768 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 3/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
CLK4 Q9HAZ1 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL60145 0.72 TTR (0.50) TTRALBMEN1KMT2AALDH1A1
SCHEMBL22017311 0.71 GRM5 (0.38) TTRALBMEN1KMT2AGRM5
SCHEMBL13656272 0.70 TSHR (0.44) MEN1KMT2AGRM5ALDH1A1CYP2A6
SCHEMBL20252184 0.67 CLK4 (0.40) GRM5CLK4
SCHEMBL20282676 0.67 ALDH1A1 (0.46) GRM5ALDH1A1CYP2A6
SCHEMBL23957253 0.67 GRM5 (0.35) TTRALBMEN1KMT2AGRM5
Cyanide SCHEMBL11880265 0.67 TTR (0.46) TTRALBMEN1KMT2AGRM5
Benzene SCHEMBL28322584 0.67 TSHR (0.59) TTRALBMEN1KMT2AGRM5
Ethyne SCHEMBL28907752 0.66 TTR (0.40) TTRALBMEN1KMT2AGRM5
SCHEMBL5852713 0.66 VCAM1 (0.43) TTRALBMEN1KMT2AGRM5

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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-21 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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, CELF2, L1CAM TTR 3504/4885ALB 1601/4885MEN1 3960/4885

“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.