SCHEMBL20174726

SCHEMBL20174726

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cc2-c2c1oc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 3/20 0.33
HSD17B10 Q99714 4/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL20174400 0.88 S1PR1 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20174352 0.85 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL24648136 0.84 MEN1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20174421 0.84 MEN1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20174420 0.83 MEN1 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20174316 0.82 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20174324 0.82 MAPT (0.35) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL24647408 0.81 MEN1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22326573 0.81 S1PR1 (0.32) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20174359 0.81 KMT2A (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG ALDH1A1 33/4885MAPT 811/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALDH1A1 33/4885MAPT 811/4885KDM4E 3633/4885

“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.