SCHEMBL20174724

SCHEMBL20174724

c1ccc(-c2cc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4oc4ccccc54)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.33
ACACA Q13085 1/20 0.32
KMT2A Q03164 2/20 0.31
MAPK1 P28482 2/20 0.31
MYC P01106 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
MEN1 O00255 1/20 0.31
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHODH Q02127 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
PLAUR Q03405 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
SCHEMBL22326574 0.92 ENPP3 (0.34) PDK2KMT2AMAPK1MEN1KDM4E
SCHEMBL20174328 0.89 PDK2 (0.38) PDK2KMT2AMAPK1MYCPLA2G2A
SCHEMBL20174322 0.89 PDK2 (0.39) PDK2KMT2AMAPK1MYCAKT1
SCHEMBL20174361 0.89 PDK2 (0.39) PDK2KMT2AMAPK1MYCAKT1
SCHEMBL20174398 0.89 PDK2 (0.39) PDK2KMT2AMAPK1MYCAKT1
SCHEMBL20174307 0.88 PDK2 (0.36) PDK2ACACAKMT2AMAPK1MEN1
SCHEMBL20174363 0.86 PDK2 (0.34) PDK2ACACAKMT2AMAPK1MYC
SCHEMBL20174315 0.85 ENPP3 (0.35) ACACAKMT2AMAPK1MEN1KDM4E
SCHEMBL20174327 0.85 PDK2 (0.34) PDK2ACACAKMT2AMAPK1MYC
SCHEMBL22326560 0.84 CYP1A1 (0.37) PDK2KMT2AMAPK1AKT1AKT2

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 651/4885ACACA 2815/4885KMT2A 1480/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ACACA 2815/4885KMT2A 1480/4885

“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.