SCHEMBL20198955

SCHEMBL20198955

c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL20174776 1.00 MCL1 (0.33) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL20174762 0.92 PDK2 (0.32) CA12CA1CA2CA9
SCHEMBL20174766 0.92 PDK2 (0.32) CA12CA1CA2CA9
SCHEMBL20174752 0.92 PDK2 (0.32) CA12CA1CA2CA9
SCHEMBL20174751 0.92 PDK2 (0.32) CA12CA1CA2CA9
SCHEMBL20174744 0.92 PDK2 (0.33)
SCHEMBL20179314 0.92 PDK2 (0.33)
SCHEMBL20174750 0.92 PDK2 (0.33)
SCHEMBL20198890 0.92 PDK2 (0.33)
SCHEMBL20174980 0.91 MCL1 (0.30) MCL1ACMSD

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 MCL1 3872/4885ACMSD 3903/4885ENPP3 3214/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MCL1 3872/4885ACMSD 3903/4885ENPP3 3214/4885

“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.