SCHEMBL22739746

SCHEMBL22739746

c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)sc3cc4c(cc35)sc3cc5ccccc5cc34)c3ccc4cc5c(cc4c3)sc3cc4c(cc35)sc3cc5ccccc5cc34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
PTGES O14684 3/20 0.32
ALOX5 P09917 3/20 0.32
APP P05067 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
TP53 P04637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BACE1 P56817 1/20 0.30
LIMK1 P53667 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 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
SCHEMBL22741852 0.99 APP (0.34) ESR1ESR2PTGESALOX5APP
SCHEMBL22739800 0.96 ESR1 (0.33) ESR1ESR2PTGESALOX5APP
SCHEMBL15852689 0.95 APP (0.35) ESR1ESR2PTGESALOX5APP
SCHEMBL22739451 0.94 ESR1 (0.33) ESR1ESR2APPPIK3CAPI4KA
SCHEMBL22741952 0.93 APP (0.34) ESR1ESR2APPPIK3CAPI4KA
SCHEMBL22739745 0.92 ALDH1A1 (0.36) APPCYP1A2CYP2C19HIF1AHSD17B10
SCHEMBL19546389 0.92 GPR3 (0.39) ESR1ESR2ALOX5APPPIK3CA
SCHEMBL22739682 0.91 ALDH1A1 (0.37) APPCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL22742637 0.90 LIMK1 (0.36) ESR1ESR2PTGESALOX5APP
SCHEMBL22741895 0.90 ESR1 (0.31) ESR1ESR2PTGESALOX5APP

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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-03 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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, LEF1 ESR1 280/4885ESR2 682/4885PTGES 3721/4885

“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.