SCHEMBL21716982

SCHEMBL21716982

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4cc5ccccc5cc43)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 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
SCHEMBL21716740 0.95 NPY5R (0.33) ESR1ESR2
SCHEMBL21716733 0.95 ESR1 (0.34) ESR1ESR2
SCHEMBL21717066 0.91 ESR1 (0.36) ESR1ESR2
SCHEMBL21716200 0.91 ESR1 (0.36) ESR1ESR2
SCHEMBL21717156 0.90 NPY5R (0.32) ESR1ESR2
SCHEMBL21716734 0.90 TUBB4A (0.34)
SCHEMBL21717217 0.90 HPGD (0.31)
SCHEMBL21716983 0.89 PTGER4 (0.31)
SCHEMBL21716227 0.87 ESR1 (0.33) ESR1ESR2
SCHEMBL22425385 0.87 HSD17B10 (0.36) ESR1ESR2

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 ESR1 195/4885ESR2 1326/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ESR1 195/4885ESR2 1326/4885

“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.