Sugi Predict

Sugi Predict / Compounds / SCHEMBL1445682

SCHEMBL1445682

SCHEMBL1445682

CC(C)(C)c1cc2c3c(c1)c(=O)c(=O)c1cc(C(C)(C)C)cc(c1-3)c(=O)c2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ PON1 P27169 1/20 0.33

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
SCHEMBL14641549 0.80 KIF11 (0.49) ALDH1A1HDAC4HDAC2HDAC8NPC1
SCHEMBL16379588 0.78 GABRA1 (0.38) GABRA1GABRB2ALDH1A1HDAC4HDAC2
SCHEMBL12319677 0.77 ALDH1A1 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Potassium Ion SCHEMBL17311946 0.77 — —
SCHEMBL25247292 0.75 NR1I2 (0.36) GABRA1GABRB2POLBALDH1A1HDAC4
SCHEMBL28418855 0.75 GABRA1 (0.33) GABRA1GABRB2POLBHDAC3HDAC6
SCHEMBL7984814 0.73 ALDH1A1 (0.44) ALDH1A1HDAC4HDAC2HDAC8NPC1
SCHEMBL29574902 0.72 POLB (0.46) GABRA1GABRB2POLBALDH1A1HDAC4
SCHEMBL26227230 0.72 GABRA1 (0.34) GABRA1GABRB2POLBALDH1A1HDAC4
SCHEMBL93161 0.69 GABRA1 (0.69) GABRA1GABRB2POLBALDH1A1RXRA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994511-A Functional group modified two-dimensional imidazolyl covalent organic framework material, preparation method and application thereof 郑州大学 2024-11-22 — — CN claimed
CN-114854214-B In-situ growth graphene two-dimensional covalent organic framework composite material and preparation method thereof 中国科学院化学研究所 2023-03-31 — — CN claimed
CN-114854214-A In-situ growth graphene two-dimensional covalent organic framework composite material and preparation method thereof 中国科学院化学研究所 2022-08-05 — — CN claimed
CN-104650103-B A kind of pyrene tetrone bridging molecules pincers series metal porphyrin compound and preparation method 北京理工大学 2016-08-24 — — CN claimed
US-12590049-B2 Metal-free oxidation of pyrenes ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-03-31 — — US disclosed
US-20230212102-A1 METAL-FREE OXIDATION OF PYRENES NATIONAL SCIENCE FOUNDATION 2023-07-06 — — US disclosed
US-20230165046-A1 ORGANIC COMPOUND AND SENSOR AND SENSOR EMBEDDED DISPLAY PANEL AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-05-25 — — US disclosed
CN-114854214-B In-situ growth graphene two-dimensional covalent organic framework composite material and preparation method thereof 中国科学院化学研究所 2023-03-31 — — CN disclosed
CN-114854214-A In-situ growth graphene two-dimensional covalent organic framework composite material and preparation method thereof 中国科学院化学研究所 2022-08-05 — — CN disclosed
CN-111087615-B COF film, preparation method, transfer method and application thereof, and chip containing COF film 国家纳米科学中心 2022-02-18 — — CN disclosed
CN-105254639-A Serial compounds with triptycene as framework and in bridge connection with metalloporphyrin through pyrene tetrone and preparation method therefor BEIJING INST TECHNOLOGY 2016-01-20 — — CN disclosed
CN-104650103-A Pyrene tetrone bridging molecular tweezers-series metalloporphyrin compound and preparation method thereof BEIJING INST TECHNOLOGY 2015-05-27 — — CN disclosed
US-20110152491-A1 NOVEL POLYMERS BASF SE (DE) 2011-06-23 — — US disclosed
EP-2291469-A1 NOVEL POLYMERS BASF SE (DE) 2011-03-09 — — EP disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 — — US disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 — — US disclosed
WO-2010006852-A1 NOVEL POLYMERS BASF SE (DE) 2010-01-21 — — WO disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 — — US disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 — — US disclosed
WO-2007004799-A1 PYRENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING PYRENE DERIVATIVES LG CHEM. LTD. (KR) 2007-01-11 — — WO 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 (3 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-20110152491-A1 NOVEL POLYMERS PLEC, PUF60, VIM GABRA1 4780/4885GABRB2 4819/4885POLB 1945/4885
US-20230212102-A1 METAL-FREE OXIDATION OF PYRENES MT-ND5, NOX4, MT-ND4 GABRA1 4363/4885GABRB2 4469/4885POLB 1066/4885
US-12590049-B2 Metal-free oxidation of pyrenes PAH, DUOX1, PPOX GABRA1 3669/4885GABRB2 3570/4885POLB 566/4885

“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.

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