SCHEMBL21687903

SCHEMBL21687903

N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
PTGER4 P35408 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TDP2 O95551 1/20 0.30
MAPT P10636 1/20 0.30
RORC P51449 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
SCHEMBL21688015 0.97 KDM4E (0.33) ALDH1A1KDM4EGLAGAAHRH1
SCHEMBL21687811 0.95 PTGER4 (0.31) ALDH1A1PTGER4KDM4EGLAGAA
SCHEMBL21687540 0.95 PTGER4 (0.31) ALDH1A1PTGER4KDM4EGLAGAA
SCHEMBL21687489 0.93 PTGER4 (0.30) ALDH1A1PTGER4KDM4EGLAGAA
SCHEMBL21687875 0.92 HRH1 (0.32) PTGER4HRH1HTR6
SCHEMBL21687754 0.91 ALDH1A1 (0.32) ALDH1A1PTGER4KDM4EGLAGAA
SCHEMBL21687553 0.91 TDP2 (0.31) ALDH1A1PTGER4KDM4EGLAGAA
SCHEMBL21687618 0.91 SMN1; SMN2 (0.35) ALDH1A1KDM4ESMN1; SMN2MEN1TSHR
SCHEMBL21687887 0.91 PTGER4 (0.31) ALDH1A1PTGER4HRH1HTR6SMN1; SMN2
SCHEMBL21688142 0.89 PTGER4 (0.32) ALDH1A1PTGER4KDM4EGLAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-12-14 US disclosed
US-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-06 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 (2 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-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNL2, CCNE2 ALDH1A1 616/4885PTGER4 553/4885KDM4E 2977/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 ALDH1A1 616/4885PTGER4 553/4885KDM4E 2977/4885

“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.