SCHEMBL21863076

SCHEMBL21863076

CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)sc8cc(N(c%10ccccc%10)c%10ccccc%10)ccc89)cc7)cc6)cc5)c4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
LIMK1 P53667 1/20 0.33
APP P05067 1/20 0.32
MAP3K8 P41279 2/20 0.32
PDK2 Q15119 2/20 0.31
F9 P00740 1/20 0.30
PIM3 Q86V86 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
SCHEMBL21791449 1.00 ABCB1 (0.35) ABCB1LIMK1APPMAP3K8PDK2
SCHEMBL9916465 0.93 ALDH1A1 (0.33) ABCB1LIMK1APPPDK2F9
SCHEMBL16356683 0.93 ABCB1 (0.35) ABCB1LIMK1PDK2F9PIM3
SCHEMBL12960074 0.92 ABCB1 (0.34) ABCB1LIMK1PDK2F9PIM3
SCHEMBL9916675 0.91 ALDH1A1 (0.33) ABCB1LIMK1APPPDK2F9
SCHEMBL12960014 0.90 ALDH1A1 (0.33) ABCB1LIMK1PDK2F9PIM3
SCHEMBL19152430 0.90 PDK2 (0.36) ABCB1LIMK1PDK2F9
SCHEMBL26506045 0.89 ALDH1A1 (0.34) ABCB1
SCHEMBL13104682 0.89 PDK2 (0.32) ABCB1PDK2
SCHEMBL9916462 0.89 PIM3 (0.34) LIMK1APPPDK2F9PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030894-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2024-07-09 US disclosed
US-20230255109-A1 COMPOUND, COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-08-10 US disclosed
US-20230140483-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-05-04 US disclosed
US-20230123757-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-04-20 US disclosed
US-20220407010-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2022-12-22 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-11217756-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device and organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2022-01-04 US disclosed
US-20200111967-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-04-09 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 (7 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-12030894-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device OR10J3, OCIAD2, OCIAD1 ABCB1 2128/4885LIMK1 126/4885APP 1817/4885
US-20230255109-A1 COMPOUND, COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD2, OXER1, OR51E2 ABCB1 3106/4885LIMK1 309/4885APP 1962/4885
US-20230140483-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 ABCB1 2444/4885LIMK1 124/4885APP 1665/4885
US-20220149295-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OCIAD2, OR10J3, OCIAD1 ABCB1 2555/4885LIMK1 78/4885APP 1617/4885
US-11217756-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device and organic optoelectronic device and display device OXER1, OCIAD1, OCIAD2 ABCB1 2067/4885LIMK1 148/4885APP 1818/4885
US-20220407010-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD2, OCIAD1, OXER1 ABCB1 1556/4885LIMK1 89/4885APP 898/4885
US-20230123757-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 ABCB1 1230/4885LIMK1 119/4885APP 1825/4885

“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.