SCHEMBL20174592

SCHEMBL20174592

c1ccc(-c2ccc(-c3cc(-c4cccc5c4-c4c(sc6ccccc46)C54c5ccccc5-c5ccccc54)cc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
ALOX5 P09917 2/20 0.32
DHODH Q02127 1/20 0.32
ACACA Q13085 1/20 0.30
F9 P00740 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL20174590 0.92 ENPP3 (0.32) PDK2F9KDM4EMAPT
SCHEMBL20174610 0.91 MEN1 (0.36) PDK2DHODHACACAF9KDM4E
SCHEMBL20174595 0.91 MEN1 (0.33) PDK2ALOX5DHODHACACAF9
SCHEMBL20174579 0.90 MEN1 (0.37) ACACAF9KDM4EMAPTADORA2A
SCHEMBL20174608 0.89 MEN1 (0.37) ALOX5KDM4EMAPTADORA2AADORA1
SCHEMBL20174621 0.89 MEN1 (0.37) ALOX5KDM4EMAPTADORA2AADORA1
SCHEMBL22326553 0.89 MEN1 (0.36) PDK2DHODHKDM4EMAPTADORA2A
SCHEMBL20174580 0.88 MAPT (0.36) ALOX5F9KDM4EMAPTADORA2A
SCHEMBL20174594 0.88 PDK2 (0.38) PDK2
SCHEMBL20174593 0.88 PDK2 (0.40) PDK2DHODH

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 651/4885ALOX5 2705/4885DHODH 189/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ALOX5 2705/4885DHODH 189/4885

“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.