SCHEMBL20174521

SCHEMBL20174521

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2sc3ccccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ALOX5 P09917 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ATM Q13315 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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

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
SCHEMBL20174455 0.93 KDM4E (0.34) S1PR1S1PR3ALOX5L3MBTL1KDM4E
SCHEMBL20174462 0.86 KDM4E (0.34) ALOX5L3MBTL1KDM4EALDH1A1ATM
SCHEMBL20174516 0.86 ALOX5 (0.33) ALOX5
SCHEMBL20174491 0.86 S1PR5 (0.37) ALOX5CNR1CNR2L3MBTL1KDM4E
SCHEMBL20174436 0.85 ALOX5 (0.34) ALOX5KDM4EALDH1A1ATMMAPT
SCHEMBL20174477 0.85 ALDH1A1 (0.33) S1PR1S1PR3L3MBTL1KDM4EALDH1A1
SCHEMBL20174480 0.85 MEN1 (0.33) ALOX5L3MBTL1HSP90AA1KDM4EALDH1A1
SCHEMBL20174511 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL20174640 0.84 L3MBTL1 (0.32) S1PR1S1PR3ALOX5L3MBTL1HSP90AA1
SCHEMBL20174520 0.84 S1PR5 (0.37) ALOX5CNR1CNR2L3MBTL1KDM4E

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 S1PR1 2330/4885S1PR3 2837/4885ALOX5 2705/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR1 2330/4885S1PR3 2837/4885ALOX5 2705/4885

“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.