SCHEMBL21716368

SCHEMBL21716368

c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c4ccccc4n(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c3cc2c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL21716370 0.97 PTGES (0.32) PTGESCHEK2
SCHEMBL21717086 0.94 CHEK2 (0.35) CHEK2
SCHEMBL21717325 0.92 GSR (0.34) CHEK2
SCHEMBL21717696 0.91 CHEK2 (0.32) CHEK2
SCHEMBL21717348 0.90 GSR (0.34) CHEK2
SCHEMBL21717141 0.90 ALDH1A1 (0.33) CHEK2
SCHEMBL14233344 0.90 HPGD (0.36) PTGESCHEK2
SCHEMBL21717225 0.88
SCHEMBL14233349 0.88 PTGES (0.33) PTGESCHEK2
SCHEMBL23471695 0.87 PTGES (0.31) PTGESCHEK2

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 1203/4885CHEK2 2353/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 PTGES 1203/4885CHEK2 2353/4885

“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.