SCHEMBL21736074

SCHEMBL21736074

CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.31
NPY5R Q15761 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
GSK3B P49841 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
SCHEMBL21736031 0.98 ABCG2 (0.32) ABCG2NPY5RTP53CYP1A2CYP3A4
SCHEMBL21735884 0.95 CYP1A2 (0.32) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21736570 0.94 ABCG2 (0.32) ABCG2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL21735861 0.92 TUBB4A (0.34)
SCHEMBL21736128 0.91
SCHEMBL21474883 0.91 PTGER4 (0.35) NPY5R
SCHEMBL21736228 0.91 PTGER4 (0.35) NPY5R
SCHEMBL20670045 0.90 TUBB4A (0.30)
SCHEMBL21735971 0.90
SCHEMBL21736138 0.90 PGR (0.34) ABCG2TP53CYP1A2CYP3A4CYP2D6

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 ABCG2 2184/4885NPY5R 4334/4885TP53 4332/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ABCG2 2184/4885NPY5R 4334/4885TP53 4332/4885

“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.