SCHEMBL20174609

SCHEMBL20174609

c1ccc(-c2cc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.34
ACACA Q13085 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ACHE P22303 1/20 0.30
CYP19A1 P11511 1/20 0.30
ALOX5 P09917 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20174570 0.94 ALOX5 (0.32) PDK2ACACAKDM4EMAPTALOX5
SCHEMBL20174601 0.93 PDK2 (0.40) PDK2MEN1KMT2ACYP19A1
SCHEMBL20174647 0.93 PDK2 (0.40) PDK2MEN1KMT2ACYP19A1
SCHEMBL20174593 0.93 PDK2 (0.40) PDK2MEN1KMT2ACYP19A1
SCHEMBL20174634 0.93 CYP1A1 (0.37) PDK2KDM4EMAPT
SCHEMBL20174589 0.93 MEN1 (0.32) PDK2MEN1KMT2A
SCHEMBL20174571 0.92 PDK2 (0.36) PDK2ACACAALOX5
SCHEMBL20174594 0.91 PDK2 (0.38) PDK2MEN1KMT2ACYP19A1
SCHEMBL20174734 0.90 MEN1 (0.38) KDM4EMAPTMEN1KMT2A
SCHEMBL20174596 0.89 MEN1 (0.34) PDK2KDM4EMAPTPTPN1MEN1

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 2815/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ACACA 2815/4885KDM4E 3633/4885

“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.