SCHEMBL22868352

SCHEMBL22868352

Bc1c(B)c(B)c(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c(B)c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 1/20 0.32
JAK2 O60674 2/20 0.32

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
SCHEMBL23056742 1.00 ACHE (0.36) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL23056792 0.88 ACHE (0.43) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL23879775 0.88 ACHE (0.43) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL24445949 0.85 ESR2 (0.38) ESR1ESR2ALOX5ALDH1A1MAPT
SCHEMBL19283276 0.84 ESR2 (0.46) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL21435747 0.84 ESR2 (0.46) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL5599347 0.84 ESR2 (0.46) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL2964995 0.84 ESR2 (0.46) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL28085916 0.84 ESR2 (0.46) ACHEESR1ESR2ALOX5ALDH1A1
SCHEMBL2613325 0.83 ESR1 (0.40) ACHEESR1ESR2ALOX5ALDH1A1

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-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 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-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ACHE 126/4885ESR1 50/4885ESR2 119/4885

“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.