SCHEMBL21392409

SCHEMBL21392409

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 8/20 0.36
PPARA Q07869 8/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35

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
SCHEMBL23521581 1.00 MCL1 (0.37) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL30067216 1.00 MCL1 (0.37) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL14490043 0.99 CA12 (0.39) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL21214811 0.97 MCL1 (0.39) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL21206216 0.97 MCL1 (0.39) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL15458693 0.97 MCL1 (0.39) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL18650197 0.96 CA12 (0.40) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL21140967 0.96 ENPP1 (0.35) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL23950934 0.96 ENPP1 (0.35) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL10034364 0.96 CA12 (0.37) MCL1ACMSDENPP3ENPP1CA12

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12048239-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2024-07-23 US disclosed
US-12048239-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2024-07-23 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220149295-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2022-05-12 US disclosed
US-20210328144-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-10-21 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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 (5 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MCL1 2969/4885ACMSD 4154/4885ENPP3 1632/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 MCL1 2969/4885ACMSD 4154/4885ENPP3 1632/4885
US-20220149295-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OCIAD2, OR10J3, OCIAD1 MCL1 4701/4885ACMSD 651/4885ENPP3 2778/4885
US-20210328144-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 MCL1 4668/4885ACMSD 641/4885ENPP3 2094/4885
US-12048239-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device OR10J3, OCIAD2, OCIAD1 MCL1 4668/4885ACMSD 641/4885ENPP3 2094/4885

“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.