SCHEMBL20174475

SCHEMBL20174475

c1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)cc3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
F9 P00740 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSD A5PKW4 2/20 0.31
CYP1A1 P04798 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
SCHEMBL20174456 0.93 MEN1 (0.36) F9KDM4EALDH1A1MAPTHPGD
SCHEMBL22326564 0.93 MEN1 (0.36) F9KDM4EALDH1A1MAPTHPGD
SCHEMBL20174485 0.92 MEN1 (0.36) F9KDM4EALDH1A1MAPTHPGD
SCHEMBL20174460 0.92 L3MBTL1 (0.35) F9KDM4EALDH1A1MAPTHPGD
SCHEMBL20174466 0.90 ALDH1A1 (0.33) ENPP3ENPP1F9KDM4EALDH1A1
SCHEMBL20174525 0.89 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDCYP1A1
SCHEMBL20174463 0.88 KDM4E (0.35) F9KDM4EALDH1A1MAPTHPGD
SCHEMBL20174498 0.88 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20179202 0.88 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20174482 0.87 ALOX5 (0.32) KDM4EALDH1A1MAPTHPGDTP53

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 ENPP3 3214/4885ENPP1 2905/4885F9 2995/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ENPP3 3214/4885ENPP1 2905/4885F9 2995/4885

“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.