SCHEMBL21736235

SCHEMBL21736235

c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5c(n4)oc4cc(-c6ccccn6)ccc45)cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
METAP2 P50579 1/20 0.31

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
SCHEMBL21736053 0.94 NPSR1 (0.34) AHRNPSR1METAP2
SCHEMBL21736428 0.82 TDP1 (0.35) AHR
SCHEMBL20670060 0.82 SMN1; SMN2 (0.38) NPSR1
SCHEMBL21736240 0.82 SIRT2 (0.32) AHR
SCHEMBL24202726 0.81 NPSR1 (0.30) NPSR1
SCHEMBL21736293 0.81 SMN1; SMN2 (0.38) NPSR1
SCHEMBL21736051 0.80 TSHR (0.35) METAP2
SCHEMBL18273484 0.80 SMN1; SMN2 (0.41) NPSR1
SCHEMBL21213818 0.78 ABCG2 (0.37)
SCHEMBL21736151 0.78 TDP1 (0.33)

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 AHR 606/4885NPSR1 4543/4885METAP2 4120/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 AHR 606/4885NPSR1 4543/4885METAP2 4120/4885

“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.