Sugi Predict

Sugi Predict / Compounds / SCHEMBL701131

SCHEMBL701131

SCHEMBL701131

CCOC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ HTT P42858 2/20 0.61
▸ POLB P06746 1/20 0.60
▸ THRB P10828 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ PRKCA P17252 1/20 0.50
▸ PRKCD Q05655 1/20 0.50

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
SCHEMBL9593360 0.94 ALDH1A1 (0.62) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL31215063 0.89 THRB (0.55) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL31215064 0.89 THRB (0.55) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL31646022 0.88 ALDH1A1 (0.49) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL12622619 0.86 SMN1; SMN2 (0.52) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL901880 0.85 FFAR4 (0.55) ALDH1A1THRBTDP1KMT2AMAPT
SCHEMBL7636937 0.85 THRB (0.54) ALDH1A1HTTPOLBTHRBMEN1
SCHEMBL9484650 0.85 THRB (0.49) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL9594026 0.85 ALDH1A1 (0.52) ALDH1A1HTTPOLBTHRBTDP1
SCHEMBL11236732 0.85 FFAR1 (0.61) ALDH1A1HTTPOLBTHRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101058562-B 3-substituted oxypyridazine derivative with weeding activity and preparation method thereof UNIV NANKAI 2010-05-19 — — CN claimed
CN-101648914-A Method for preparing 6-methyl-3-(3,4-dichloroanilino)-4-(3-trifluoromethylphenyl)pyridazine and phytocidal activity thereof UNIV NANKAI 2010-02-17 — — CN claimed
CN-100569756-C Has 3-substituted-amino pyridazine class derivative of weeding activity and preparation method thereof UNIV NANKAI (CN) 2009-12-16 — — CN claimed
CN-101058563-A 3-substituted amidopyridazine derivative with weeding activity and preparation method thereof UNIV NANKAI (CN) 2007-10-24 — — CN claimed
CN-101058562-A 3-substituted oxypyridazine derivative with weeding activity and preparation method thereof UNIV NANKAI (CN) 2007-10-24 — — CN claimed
CN-1962642-A Trifluoromethylphenylpyridazine derivative and its preparation method UNIV NANKAI (CN) 2007-05-16 — — CN claimed
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 — — US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 — — US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
CN-114957065-A Malonic acid dithioester compound, preparation method and application thereof 沈阳化工大学 2022-08-30 — — CN disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
CN-107082782-B Substituted xanthines and methods of use thereof 海德拉生物科学有限责任公司 2020-03-20 — — CN disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 — — CN disclosed
WO-2001082930-A1 PYRAZOLE ANTIMICROBIAL AGENTS TULARIK INC. (US) 2001-11-08 — — WO disclosed
EP-1037881-A1 PROCESS OF PREPARING SUBSTITUTED PYRIMIDINONES Amgen Inc. (US) 2000-09-27 — — EP disclosed
WO-1999028303-A1 PROCESS OF PREPARING SUBSTITUTED PYRIMIDINONES AMGEN, INC. (US) 1999-06-10 — — WO disclosed
US-4711898-A 4-quinolone derivatives having anti-inflammatory, anti-allergic, antitussive, expectorant and antithrombotic activity NIPPON SHINYAKU CO., LTD. (JP) 1987-12-08 — — US disclosed
EP-0104959-B1 4-QUINOLONE DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-01-21 — — EP disclosed
EP-0104959-A1 4-Quinolone derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1984-04-04 — — EP disclosed
US-4319916-A 3-Acyl-5-phenyl-4(1H)-pyridinones and their use as herbicides ELI LILLY AND COMPANY (US) 1982-03-16 — — 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 (4 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-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885HTT 1025/4885POLB 3162/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885HTT 1025/4885POLB 3162/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885HTT 1025/4885POLB 3162/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885HTT 1025/4885POLB 3162/4885

“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.