SCHEMBL21716461

SCHEMBL21716461

c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c4ccccc4n(-c4nc5ccccc5nc4-c4ccc5c(ccc6ccccc65)c4)c3cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
PTGES O14684 1/20 0.32
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
GRK6 P43250 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TUBB4A P04350 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
SCHEMBL21716786 0.95 GSR (0.39) GSRTDP1ALDH1A1HPGDTUBB4A
SCHEMBL21716927 0.93 GSR (0.42) GSRTDP1MAPTGAAALDH1A1
SCHEMBL21716879 0.92 GSR (0.34) GSRPTGESKDM4E
SCHEMBL21717122 0.90 GSR (0.37) GSRTDP1TUBB4ATUBBTUBA3C
SCHEMBL21716460 0.89 GSR (0.37) GSRTDP1
SCHEMBL21716903 0.88 GSR (0.33) GSRTDP1PTGESLMNAMAPT
SCHEMBL21716891 0.88 GSR (0.36) GSRTDP1LMNAMAPTHTT
SCHEMBL21716970 0.87 GSR (0.32) GSRPTGESLMNAMAPTHTT
SCHEMBL21716230 0.86 GSR (0.35) GSRTDP1
SCHEMBL21716210 0.86 KDM4E (0.38) GSRHTTKDM4EGAA

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 GSR 3951/4885TDP1 1382/4885PTGES 1203/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885TDP1 1382/4885PTGES 1203/4885

“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.