SCHEMBL21736031

SCHEMBL21736031

CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPY5R Q15761 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
SCHEMBL21736074 0.98 ABCG2 (0.31) ABCG2TSHRTP53CYP1A2CYP3A4
SCHEMBL21736570 0.96 ABCG2 (0.32) ABCG2TSHRTP53CYP1A2CYP3A4
SCHEMBL21735884 0.95 CYP1A2 (0.32) TSHRTP53CYP1A2CYP3A4CYP2D6
SCHEMBL21735861 0.92 TUBB4A (0.34)
SCHEMBL21736128 0.91
SCHEMBL19247907 0.91 KDM4E (0.37) ABCG2KDM4EATML3MBTL1
SCHEMBL21474883 0.90 PTGER4 (0.35) KDM4EATML3MBTL1NPY5R
SCHEMBL21736228 0.90 PTGER4 (0.35) KDM4EATML3MBTL1NPY5R
SCHEMBL21735971 0.90
SCHEMBL20670045 0.90 TUBB4A (0.30)

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 2184/4885TSHR 4719/4885TP53 4332/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ABCG2 2184/4885TSHR 4719/4885TP53 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.