SCHEMBL20174250

SCHEMBL20174250

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3-c3oc5ccccc5c3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.33
PLA2G2A P14555 1/20 0.32
PLA2G4A P47712 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL20174274 0.91 PLA2G2A (0.33) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174260 0.89 ALDH1A1 (0.34) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174253 0.88 CYP1A1 (0.40) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174256 0.88 CYP1A1 (0.40) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174231 0.88 MAPT (0.34) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174251 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174237 0.87 PLA2G2A (0.32) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL20174249 0.87 ALDH1A1 (0.33) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL22326575 0.87
SCHEMBL20174298 0.86 L3MBTL1 (0.31) PLA2G2APLA2G4AL3MBTL1

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 33/4885KDM4E 3633/4885TP53 3634/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALDH1A1 33/4885KDM4E 3633/4885TP53 3634/4885

“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.