SCHEMBL20174404

SCHEMBL20174404

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6c5oc5ccccc65)c4)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20174329 1.00 PDK2 (0.35) PDK2PLA2G2APLA2G4APLA2G10MAPT
SCHEMBL20174354 0.97 PDK2 (0.37) PDK2PLA2G2APLA2G4AMAPTALDH1A1
SCHEMBL20174397 0.96 PDK2 (0.33) PDK2PLA2G2APLA2G4APLA2G10
SCHEMBL20174388 0.96 PDK2 (0.33) PDK2PLA2G2APLA2G4APLA2G10
SCHEMBL20174375 0.94 ALDH1A1 (0.34) PDK2PLA2G2APLA2G4APLA2G10MAPT
SCHEMBL20174407 0.94 KMT2A (0.37) PDK2PLA2G2APLA2G4APLA2G10MAPT
SCHEMBL20174377 0.94 KMT2A (0.37) PDK2PLA2G2APLA2G4APLA2G10MAPT
SCHEMBL20174358 0.93 ALDH1A1 (0.36) PDK2PLA2G2APLA2G4AMAPTALDH1A1
SCHEMBL20174321 0.93 KMT2A (0.38) PDK2PLA2G2APLA2G4APLA2G10MAPT
SCHEMBL19008461 0.93 KMT2A (0.37) PDK2PLA2G2APLA2G4AMAPTALDH1A1

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.