SCHEMBL20174398

SCHEMBL20174398

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4oc6ccccc6c4-5)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.39
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
MYC P01106 1/20 0.32
MEN1 O00255 1/20 0.32
CYP19A1 P11511 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
DHODH Q02127 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
SCHEMBL20174361 1.00 PDK2 (0.39) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL20174322 1.00 PDK2 (0.39) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL20174328 0.98 PDK2 (0.38) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL20174307 0.97 PDK2 (0.36) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL22326560 0.94 CYP1A1 (0.37) PDK2KMT2AMAPK1AKT1AKT2
SCHEMBL20174393 0.92 KMT2A (0.37) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL20174342 0.92 KMT2A (0.37) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL19008461 0.92 KMT2A (0.37) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL20174363 0.92 PDK2 (0.34) PDK2PLA2G2APLA2G4AKMT2AMAPK1
SCHEMBL20174373 0.91 CYP1A1 (0.36) PDK2PLA2G2APLA2G4AKMT2AMAPK1

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.