SCHEMBL19979909

SCHEMBL19979909

C=C/C=c1\c2n(c3ccccc13)-c1ccccc1C1(C=2C)c2ccccc2Sc2cc3c4ccccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGER4 P35408 1/20 0.32
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
CACNG2 Q9Y698 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL19979896 0.86 PTGER4 (0.33) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL19979725 0.84
SCHEMBL19977840 0.83 ESR1 (0.38) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL19977912 0.83 ESR2 (0.39) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL20291328 0.80
SCHEMBL19977814 0.80 ESR1 (0.38) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL19977823 0.80 ESR2 (0.39) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL19979735 0.76
SCHEMBL20287343 0.74 ESR1 (0.38) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL20287317 0.74 ESR1 (0.38) ESR1ESR2PTGER4GRIA1CACNG8

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-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 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-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 ESR1 7/4885ESR2 28/4885PTGER4 557/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG ESR1 5/4885ESR2 18/4885PTGER4 406/4885

“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.