SCHEMBL20143843

SCHEMBL20143843

CC(C)(C)c1c(C#N)cccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AR P10275 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.35
KIF11 P52732 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL25456460 0.89 TSHR (0.39) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL13209347 0.87 CA2 (0.41) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL13748556 0.87 TSHR (0.56) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL21718388 0.87 DYRK1A (0.42) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL21718859 0.85 DYRK1A (0.42) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL21718846 0.85 DYRK1A (0.41) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL17030752 0.85 AR (0.39) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL17030741 0.85 TSHR (0.39) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL29295870 0.85 CYP3A4 (0.47) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL21339142 0.82 POLB (0.46) TSHRALDH1A1GAAKDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389421-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-30 US disclosed
US-20230365606-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230200211-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-01 US disclosed
US-20230157154-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-18 US disclosed
US-20230145950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-11 US disclosed
CN-115175951-A Resin composition, cured product, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2022-10-11 CN disclosed
US-20220119418-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-21 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11165026-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-11-02 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200335707-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-22 US disclosed
US-10741774-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-11 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-9972791-B2 [2.2]paracyclophane-derived donor/acceptor-type molecules for OLED applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-05-15 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 (14 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-11165026-B2 Heterocyclic compound and organic electroluminescence device including the same OR10J3, CNOT9, RUNX1 TSHR 3235/4885ALDH1A1 1765/4885HTT 2597/4885
US-20230157154-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, GLRA3 TSHR 124/4885ALDH1A1 680/4885HTT 4331/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 TSHR 2413/4885ALDH1A1 525/4885HTT 2840/4885
US-10741774-B2 Heterocyclic compound and organic electroluminescence device including the same OR10J3, CNOT9, RUNX1 TSHR 3235/4885ALDH1A1 1765/4885HTT 2597/4885
US-20220119418-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES BMI1, OXSR1, EED TSHR 606/4885ALDH1A1 2196/4885HTT 1512/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK TSHR 2711/4885ALDH1A1 894/4885HTT 432/4885
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP TSHR 3056/4885ALDH1A1 263/4885HTT 2047/4885
US-20230200211-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OPRM1, OCIAD1 TSHR 1460/4885ALDH1A1 412/4885HTT 4168/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TSHR 2711/4885ALDH1A1 894/4885HTT 432/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 TSHR 2413/4885ALDH1A1 525/4885HTT 2840/4885
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 TSHR 850/4885ALDH1A1 683/4885HTT 3502/4885
US-20200335707-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME OR10J3, CNOT9, RUNX1 TSHR 3235/4885ALDH1A1 1765/4885HTT 2597/4885
US-20230145950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NR1D2, NR1H2, NR1D1 TSHR 740/4885ALDH1A1 1415/4885HTT 4133/4885
US-20230365606-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, OPRD1, OXSR1 TSHR 159/4885ALDH1A1 728/4885HTT 4568/4885

“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.