SCHEMBL20199205

SCHEMBL20199205

c1ccc(N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4sc5ccccc5c43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
F9 P00740 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
ALOX5 P09917 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
SCHEMBL20199170 0.91
SCHEMBL20199159 0.91 MCL1 (0.33) CA12CA1CA2CA9F9
SCHEMBL20174836 0.91 MCL1 (0.33) CA12CA1CA2CA9F9
SCHEMBL20199210 0.90 ALOX5 (0.34) F9ALOX5
SCHEMBL20199193 0.89 S1PR5 (0.33) S1PR4S1PR5ALOX5
SCHEMBL20174860 0.87 PDK2 (0.34) ALOX5
SCHEMBL20199169 0.87 PDK2 (0.34) ALOX5
SCHEMBL20199178 0.87 ALOX5 (0.32) ALOX5
SCHEMBL20199171 0.86 PDK2 (0.36) F9ALOX5
SCHEMBL20174846 0.86 PDK2 (0.36) F9ALOX5

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG CA12 2399/4885CA1 3361/4885CA2 3615/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CA12 2399/4885CA1 3361/4885CA2 3615/4885

“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.