SCHEMBL21090873

SCHEMBL21090873

C=C(/C=C\C)n1c2ccccc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GPR3 P46089 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22281630 0.87 POLB (0.43) POLBGPR3MAPTLMNAHTT
SCHEMBL15158557 0.84 POLB (0.44) POLBGPR3MAPTLMNAHTT
SCHEMBL24309082 0.84 POLB (0.37) POLBGPR3MAPTLMNAHTT
SCHEMBL20686441 0.81 POLB (0.34) POLBMAPTLMNAHTTKDM4E
SCHEMBL20711119 0.79 POLB (0.41) POLBGPR3MAPTLMNAHTT
SCHEMBL25455089 0.79 POLB (0.46) POLBGPR3MAPTLMNAHTT
SCHEMBL18774270 0.78 POLB (0.48) POLBGPR3MAPTLMNAHTT
SCHEMBL10523214 0.78 POLB (0.47) POLBGPR3MAPTLMNAHTT
SCHEMBL22325592 0.77 POLB (0.57) POLBGPR3MAPTLMNAHTT
SCHEMBL19823539 0.75 POLB (0.38) POLBGPR3MAPTLMNAHTT

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
WO-2022257817-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS 清华大学 2022-12-15 WO disclosed
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 POLB 1789/4885GPR3 115/4885MAPT 3572/4885

“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.