Sugi Predict

Sugi Predict / Compounds / SCHEMBL718453

SCHEMBL718453

SCHEMBL718453

CCc1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.44
▸ CYP1A2 P05177 6/20 0.44
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HIF1A Q16665 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ CYP2C19 P33261 2/20 0.31

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
SCHEMBL4584654 0.85 CYP2A6 (0.37) CYP2A6CYP1A2TDP1ALDH1A1HIF1A
SCHEMBL2254290 0.82 NPC1 (0.37) CYP2A6CYP1A2MEN1KMT2ARAB9A
SCHEMBL66086 0.82 CYP1A2 (0.39) CYP2A6CYP1A2
SCHEMBL4584794 0.81 TLR8 (0.38) CYP2A6CYP1A2MEN1KMT2ARAB9A
SCHEMBL7771686 0.81 CA1 (0.35) CYP2A6CYP1A2TDP1ALDH1A1HIF1A
SCHEMBL2252881 0.80 KCNH2 (0.39) MEN1KMT2ARAB9AATMNPC1
SCHEMBL4584285 0.80 KCNH2 (0.39) MEN1KMT2ARAB9AATMNPC1
SCHEMBL4585268 0.80 KCNH2 (0.39) MEN1KMT2ARAB9AATMNPC1
SCHEMBL4585792 0.80 KCNH2 (0.39) MEN1KMT2ARAB9AATMNPC1
SCHEMBL6439117 0.80 KCNH2 (0.39) MEN1KMT2ARAB9AATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 — — US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 — — US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 — — US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 — — US claimed
US-11970510-B2 Catalyst component and catalyst for olefin polymerization, and application thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-04-30 — — US disclosed
US-20240045330-A1 NEGATIVE PHOTOSENSITIVE COMPOSITION AND PATTERN FORMATION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-08 — — US disclosed
CN-117420731-A Negative photosensitive composition and pattern forming method 东京应化工业株式会社 2024-01-19 — — CN disclosed
US-20230236505-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMATION METHOD, AND LAMINATED FILM SAN-APRO LTD. (JP) 2023-07-27 — — US disclosed
CN-112707991-B Ethylene-propylene random copolymer and preparation method thereof 中国石油化工股份有限公司 2022-08-19 — — CN disclosed
CN-112707989-B Plasticizer-free ethylene-propylene random copolymer and application thereof 中国石油化工股份有限公司 2022-08-19 — — CN disclosed
US-11370984-B2 Oil tagging Forecast Technology Limited (GB) 2022-06-28 — — US disclosed
CN-111072812-B Catalyst component and catalyst for olefin polymerization, application thereof and olefin polymerization method 中国石油化工股份有限公司 2022-05-24 — — CN disclosed
US-6743885-B2 MIXTURE OF POLYSILSESQUIOXANE AND ACID GENERATOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-01 — — US disclosed
US-20030235782-A1 Photoresist composition for deep ultraviolet lithography comprising a mixture of photoactive compounds MERCK PATENT GMBH (DE) 2003-12-25 — — US disclosed
WO-2003107093-A2 PHOTORESIST COMPOSITION FOR DEEP ULTRAVIOLET LITHOGRAPHY COMPRISING A MIXTURE OF PHOTOACTIVE COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2003-12-24 — — WO disclosed
US-20030211407-A1 Alkali-soluble siloxane polymer, positive type resist composition, resist pattern, process for forming the same, electronic device and process for manufacturing the same FUJITSU LIMITED (JP) 2003-11-13 — — US disclosed
US-20030092854-A1 Resin composition for intermediate layer of three-layer resist SUMITOMO CHEMICAL COMPANY, LIMITED 2003-05-15 — — US disclosed
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 — — US disclosed
EP-0206251-B1 HALOACETAMIDE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1988-09-07 — — EP disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 — — EP 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 CYP2A6 2722/4885CYP1A2 703/4885TDP1 3945/4885
US-20030235782-A1 Photoresist composition for deep ultraviolet lithography comprising a mixture of photoactive compounds SUN2, UROD, ERCC1 CYP2A6 2715/4885CYP1A2 2682/4885TDP1 952/4885
US-11970510-B2 Catalyst component and catalyst for olefin polymerization, and application thereof OGDH, MDH1, MDH2 CYP2A6 1262/4885CYP1A2 1239/4885TDP1 3072/4885

“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.