SCHEMBL22730641

SCHEMBL22730641

CCOC(=O)c1c2cccccc-2c(C(=O)OCC)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
GAA P10253 3/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 3/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
APAF1 O14727 1/20 0.51

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
SCHEMBL27951349 0.84 SMN1; SMN2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL25194957 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL11323932 0.82 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL18803865 0.81 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL1590707 0.81 ALDH1A1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27984025 0.81 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL4320540 0.80 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL3561171 0.79 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL27938369 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL9681966 0.79 ALDH1A1 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108753275-B Fluorescent composite material for measuring temperature and method for measuring temperature by fluorescence using fluorescent composite material 广东省计量科学研究院(华南国家计量测试中心) 2021-02-05 CN claimed
CN-108753275-A Fluorescent composite material for measuring temperature and method for measuring temperature by fluorescence using fluorescent composite material 广东省计量科学研究院(华南国家计量测试中心) 2018-11-06 CN claimed
CN-114957081-B Azulene compounds, intermediates, preparation method and application thereof 中国科学院上海有机化学研究所 2024-04-05 CN disclosed
US-11667618-B2 Azulene ring-containing compound, its use, and an organic photoelectric device including the same WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-06 US disclosed
US-11667618-B2 Azulene ring-containing compound, its use, and an organic photoelectric device including the same WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-06 US disclosed
CN-114957081-A Azulene compounds, intermediates thereof, preparation methods and uses thereof 中国科学院上海有机化学研究所 2022-08-30 CN disclosed
CN-112326059-A Method for measuring temperature by fluorescence using fluorescent composite material 广东省计量科学研究院(华南国家计量测试中心) 2021-02-05 CN disclosed
CN-108753275-B Fluorescent composite material for measuring temperature and method for measuring temperature by fluorescence using fluorescent composite material 广东省计量科学研究院(华南国家计量测试中心) 2021-02-05 CN disclosed
US-20200377467-A1 Azulene ring-containing compound, its use, and an organic photoelectric device including the same Shanghai Tianma AM-OLED Co., Ltd., Shanghai, CHINA 2020-12-03 US disclosed
CN-108753275-A Fluorescent composite material for measuring temperature and method for measuring temperature by fluorescence using fluorescent composite material 广东省计量科学研究院(华南国家计量测试中心) 2018-11-06 CN 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-11667618-B2 Azulene ring-containing compound, its use, and an organic photoelectric device including the same CCNE2, CCNE1, ESR1 CA12 3511/4885CA1 2859/4885CA2 3307/4885
US-20200377467-A1 Azulene ring-containing compound, its use, and an organic photoelectric device including the same CCNE2, CCNE1, ESR1 CA12 3511/4885CA1 2859/4885CA2 3307/4885

“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.