SCHEMBL21716875

SCHEMBL21716875

c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c(cc2c1)c1ccccc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3ccc4sc5ccccc5c4c3)cccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.32
PTGES O14684 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
SCHEMBL21716807 0.94 GSR (0.35) GSR
SCHEMBL21717049 0.92 GSR (0.36) GSR
SCHEMBL21717614 0.92 GSR (0.32) GSR
SCHEMBL21716236 0.91 GSR (0.34) GSRPTGES
SCHEMBL21717025 0.90 GSR (0.36) GSR
SCHEMBL21716372 0.86 PTGES (0.32) GSRPTGES
SCHEMBL21716708 0.86 GSR (0.31) GSR
SCHEMBL17533243 0.86 KDM4E (0.31)
SCHEMBL21716215 0.84 GSR (0.38) GSR
SCHEMBL21716451 0.84 GSR (0.39) GSR

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 3951/4885PTGES 1203/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885PTGES 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.