SCHEMBL17855950

SCHEMBL17855950

c1ccc(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5cccc6c5sc5ccccc56)cc4)cccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PARP14 Q460N5 1/20 0.39
IDO1 P14902 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TDO2 P48775 1/20 0.32
PRKDC P78527 1/20 0.31
LIMK1 P53667 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL16475645 0.91 ALOX5 (0.38) ALOX5PARP14PRKDCLIMK1
SCHEMBL17804997 0.88 ALOX5 (0.45) ALOX5PARP14IDO1MEN1KMT2A
SCHEMBL22680258 0.87 PARP14 (0.41) ALOX5PARP14IDO1MEN1KMT2A
SCHEMBL22680496 0.86 PTGIR (0.40) ALOX5PARP14IDO1MEN1KMT2A
SCHEMBL21446392 0.85 PARP14 (0.43) ALOX5PARP14IDO1MEN1KMT2A
SCHEMBL25701146 0.84 PARP14 (0.41) ALOX5PARP14IDO1MEN1KMT2A
SCHEMBL17033116 0.84 ALOX5 (0.44) ALOX5PARP14IDO1MEN1KMT2A
SCHEMBL22245911 0.84 MAPT (0.37) PARP14IDO1MEN1KMT2AKDM4E
SCHEMBL27004672 0.83 PARP14 (0.34) ALOX5PARP14TDO2
SCHEMBL437557 0.83 ALOX5 (0.51) ALOX5PARP14MEN1KMT2AKDM4E

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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 ALOX5 1603/4885PARP14 861/4885IDO1 2990/4885

“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.