SCHEMBL21923641

SCHEMBL21923641

c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)nc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
ABCG2 Q9UNQ0 5/20 0.38
SIRT1 Q96EB6 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 2/20 0.37
ACP1 P24666 2/20 0.37
ROCK2 O75116 2/20 0.37
MAPT P10636 1/20 0.37
ROCK1 Q13464 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL21213058 0.97 ROCK2 (0.39) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21212923 0.96 GBA1 (0.36) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21924909 0.95 GBA1 (0.35) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21716999 0.93 ROCK2 (0.41) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21212862 0.93 ROCK2 (0.39) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21717286 0.93 ROCK2 (0.41) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21923600 0.92 ROCK2 (0.34) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21716995 0.91 ABCG2 (0.43) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21717287 0.91 ABCG2 (0.43) GBA1ABCG2SIRT1CYP1A2CYP3A4
SCHEMBL21923640 0.91 ABCG2 (0.41) GBA1ABCG2SIRT1CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-04-30 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 (1 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-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP1A1 GBA1 854/4885ABCG2 867/4885SIRT1 1370/4885

“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.