SCHEMBL20174199

SCHEMBL20174199

c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5oc5ccccc45)c3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.36
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACACA Q13085 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
SCHEMBL20174284 0.98 PDK2 (0.39) PDK2PLA2G2APLA2G4AADORA3MAPK1
SCHEMBL20174209 0.93 PDK2 (0.36) PDK2PLA2G2APLA2G4AMAPK1KMT2A
SCHEMBL20174710 0.93 PDK2 (0.34) PDK2ADORA3MAPK1KMT2AMEN1
SCHEMBL20174198 0.92 KMT2A (0.36) PDK2PLA2G2APLA2G4APLA2G10MAPK1
SCHEMBL20174271 0.92 CYP1A1 (0.37) PDK2PLA2G2APLA2G4AMAPK1KMT2A
SCHEMBL20174236 0.91 KMT2A (0.38) PDK2PLA2G2APLA2G4APLA2G10ADORA3
SCHEMBL20174218 0.91 KMT2A (0.35) PDK2PLA2G2APLA2G4APLA2G10MAPK1
SCHEMBL22326577 0.91 KMT2A (0.38) PDK2PLA2G2APLA2G4APLA2G10ADORA3
SCHEMBL22326546 0.91 PDK2 (0.33) PDK2PLA2G2APLA2G4A
SCHEMBL20174214 0.91 PDK2 (0.36) PDK2PLA2G2APLA2G4APLA2G10ADORA3

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 PDK2 651/4885PLA2G2A 4788/4885PLA2G4A 4802/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885PLA2G2A 4788/4885PLA2G4A 4802/4885

“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.