SCHEMBL21716969

SCHEMBL21716969

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4cccc5c(-c6nc7ccccc7nc6-c6cccc7oc8ccccc8c67)cccc45)c3cc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.38
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL21716449 0.98 GSR (0.37) GSRCYP1A2
SCHEMBL21717024 0.92 GSR (0.34) GSRCYP1A2
SCHEMBL21716933 0.92 GSR (0.39) GSRCYP1A2
SCHEMBL21716500 0.92 GSR (0.34) GSRCYP1A2
SCHEMBL21716682 0.90 GSR (0.38) GSRCYP1A2
SCHEMBL21717298 0.89 GSR (0.34) GSR
SCHEMBL21717333 0.87 GSR (0.35) GSR
SCHEMBL21717204 0.87 GSR (0.33) GSR
SCHEMBL21717460 0.86 GSR (0.33) GSR
SCHEMBL21213507 0.84 CYP1A2 (0.35) GSRCYP1A2ALDH1A1NPSR1RXFP1

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 3951/4885CYP1A2 6/4885ALDH1A1 33/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885CYP1A2 6/4885ALDH1A1 33/4885

“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.