SCHEMBL20174455

SCHEMBL20174455

c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)c3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
F9 P00740 1/20 0.30
ALOX5 P09917 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
SCHEMBL20174521 0.93 S1PR1 (0.35) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20174480 0.92 MEN1 (0.33) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20174477 0.91 ALDH1A1 (0.33) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20174491 0.90 S1PR5 (0.37) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20174516 0.90 ALOX5 (0.33) ALOX5
SCHEMBL20174436 0.90 ALOX5 (0.34) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL20174462 0.88 KDM4E (0.34) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20174529 0.88 MEN1 (0.38) KDM4EALDH1A1MAPTHPGDALOX5
SCHEMBL20174528 0.88 PDK2 (0.36) KDM4EALDH1A1MAPTHPGDALOX5
SCHEMBL20174517 0.88 PDK2 (0.36) KDM4EALDH1A1MAPTHPGDALOX5

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