SCHEMBL20174681

SCHEMBL20174681

c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)nc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 7/20 0.38
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
F9 P00740 1/20 0.33
EGFR P00533 1/20 0.33
SLC9A1 P19634 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 1/20 0.32
NPC1 O15118 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
SCHEMBL20174677 0.87 ACACA (0.39) ACACAHPGDMAPK1KDM4EALDH1A1
SCHEMBL20174549 0.86 ACACA (0.38) ACACAHPGDMAPK1KDM4EALDH1A1
SCHEMBL18455628 0.84 ACACA (0.45) ACACAHPGDMAPK1KDM4EALDH1A1
SCHEMBL20174666 0.84 ACACA (0.38) ACACAHPGDMAPK1KDM4EALDH1A1
SCHEMBL20174576 0.84 MAPT (0.33) HPGDMAPK1KDM4EALDH1A1MAPT
SCHEMBL20174674 0.83 NPC1 (0.34) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL18455696 0.82 ACACA (0.46) ACACAHPGDMAPK1KDM4EALDH1A1
SCHEMBL20174564 0.81 SLC9A1 (0.33) HPGDMAPK1KDM4EALDH1A1MAPT
SCHEMBL21868294 0.80 ACACA (0.44) ACACAHPGDMAPK1KDM4EALDH1A1
SCHEMBL20174653 0.80 KDM4E (0.32) HPGDKDM4EALDH1A1MAPTMEN1

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 ACACA 2815/4885HPGD 2229/4885MAPK1 3742/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ACACA 2815/4885HPGD 2229/4885MAPK1 3742/4885

“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.