SCHEMBL20174581

SCHEMBL20174581

c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4c(sc6ccccc46)C54c5ccccc5-c5ccccc54)cc3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL20179344 0.94 KDM4E (0.32) TSHRL3MBTL1KDM4EALDH1A1TP53
SCHEMBL20174574 0.88 ALDH1A1 (0.35) TSHRL3MBTL1KDM4EALDH1A1TP53
SCHEMBL20174579 0.88 MEN1 (0.37) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20174599 0.88 ALOX5 (0.32) L3MBTL1F9ADORA2AADORA1
SCHEMBL20174577 0.88 ADORA2A (0.32) TSHRL3MBTL1KDM4EALDH1A1TP53
SCHEMBL22326584 0.88 S1PR5 (0.36) TSHRL3MBTL1KDM4EALDH1A1TP53
SCHEMBL20174610 0.87 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20174582 0.87 L3MBTL1 (0.34) TSHRL3MBTL1KDM4EALDH1A1TP53
SCHEMBL20174640 0.85 L3MBTL1 (0.32) L3MBTL1HDAC8HDAC6
SCHEMBL20174591 0.84 L3MBTL1 (0.33) TSHRL3MBTL1KDM4EALDH1A1TP53

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 TSHR 2800/4885L3MBTL1 2838/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG TSHR 2800/4885L3MBTL1 2838/4885KDM4E 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.