SCHEMBL21716372

SCHEMBL21716372

c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
GSR P00390 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
SCHEMBL21716369 0.97 PTGES (0.32) PTGES
SCHEMBL21717138 0.94 ALDH1A1 (0.33) GSR
SCHEMBL21717351 0.92 GSR (0.34) GSR
SCHEMBL21717446 0.91 GSR (0.31) GSR
SCHEMBL21717331 0.90 GSR (0.34) GSR
SCHEMBL21717087 0.90 ALDH1A1 (0.33) GSR
SCHEMBL14232926 0.90 HPGD (0.36) PTGES
SCHEMBL21716833 0.89 MEN1 (0.31) PTGES
SCHEMBL14233352 0.88 PTGES (0.33) PTGES
SCHEMBL23471710 0.87 PTGES (0.31) PTGES

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

“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.