SCHEMBL20174543

SCHEMBL20174543

c1ccc(-c2cc(-c3cccc4c3-c3sc5ccccc5c3C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.38
ACHE P22303 1/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.35
PDE10A Q9Y233 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
PTP4A3 O75365 1/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
DHODH Q02127 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL20174487 0.89 ALOX5 (0.33) ACHELMNASMN1; SMN2HPGDKDM4E
SCHEMBL20174484 0.87 PDK2 (0.33) DHODHL3MBTL1
SCHEMBL20174471 0.87 ALOX5 (0.33) ACACALMNASMN1; SMN2HPGDKDM4E
SCHEMBL20174515 0.85 MEN1 (0.32) LMNASMN1; SMN2HPGDKDM4EMAPT
SCHEMBL20174505 0.85 MEN1 (0.36) ACACALMNASMN1; SMN2HPGDKDM4E
SCHEMBL20174666 0.84 ACACA (0.38) ACACAACHELMNASMN1; SMN2HPGD
SCHEMBL20174447 0.84 MEN1 (0.33) LMNASMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL20174549 0.83 ACACA (0.38) ACACAACHELMNASMN1; SMN2HPGD
SCHEMBL24647394 0.82 ACHE (0.45) ACACAACHELMNASMN1; SMN2HPGD
SCHEMBL20174557 0.82 AR (0.40) LMNASMN1; SMN2KDM4EPOLBHTT

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 2815/4885ACHE 2816/4885LMNA 3057/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ACACA 2815/4885ACHE 2816/4885LMNA 3057/4885

“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.