SCHEMBL20174444

SCHEMBL20174444

c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)c3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.36
ALOX5 P09917 1/20 0.33
ROCK1 Q13464 1/20 0.32
ACACA Q13085 1/20 0.30
F9 P00740 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
SCHEMBL20174523 0.98 PDK2 (0.39) PDK2ALOX5ROCK1
SCHEMBL20174468 0.93 PDK2 (0.36) PDK2ALOX5ROCK1F9
SCHEMBL20174448 0.92 MEN1 (0.36) PDK2ALOX5ROCK1ACACA
SCHEMBL20174469 0.92 PDK2 (0.37) PDK2ALOX5ROCK1ACACAF9
SCHEMBL20174472 0.92 PDK2 (0.37) PDK2ALOX5ROCK1ACACAF9
SCHEMBL20174449 0.92 PDK2 (0.37) PDK2ALOX5ROCK1ACACAF9
SCHEMBL20174506 0.92 CYP1A1 (0.37) PDK2ROCK1
SCHEMBL20174458 0.91 MEN1 (0.38) PDK2ALOX5ROCK1
SCHEMBL20174476 0.91 MEN1 (0.35) PDK2ALOX5ROCK1ACACA
SCHEMBL20174524 0.90 MEN1 (0.37) PDK2ALOX5ROCK1ACACA

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 2705/4885ROCK1 3360/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ALOX5 2705/4885ROCK1 3360/4885

“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.