Sugi Predict

Sugi Predict / Compounds / SCHEMBL9251996

SCHEMBL9251996

SCHEMBL9251996

CC(C)(C)C(CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 7/20 0.45
▸ SLC6A3 Q01959 3/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ RIPK1 Q13546 3/20 0.44
▸ LMNA P02545 1/20 0.41
▸ AOC3 Q16853 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CACNA1F O60840 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL10221952 1.00 TRPA1 (0.45) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL10221958 1.00 TRPA1 (0.45) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL21555694 0.83 TRPA1 (0.42) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL25015588 0.83 TRPA1 (0.48) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL25016013 0.83 TRPA1 (0.48) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL13748092 0.81 RIPK1 (0.46) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL29114547 0.81 TRPA1 (0.41) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL29103156 0.79 MEN1 (0.47) TRPA1SLC6A3SLC6A4RIPK1ATM
SCHEMBL28931304 0.79 RIPK1 (0.43) TRPA1SLC6A3SLC6A2SLC6A4RIPK1
SCHEMBL29010468 0.79 LMNA (0.48) TRPA1SLC6A3SLC6A2SLC6A4RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 — — CN claimed
CN-110144139-A A kind of zinc oxide base nano particle ink and photoelectric device 纳晶科技股份有限公司 2019-08-20 — — CN claimed
CN-107754856-A The Au catalyst that macrocyclic compound supports prepares and Au catalyst and application 中国科学院大连化学物理研究所 2018-03-06 — — CN claimed
CN-107537565-A Cross linked amphoteric polymeric supported precious metal catalyst and preparation and alcohol method for oxidation 中国科学院大连化学物理研究所 2018-01-05 — — CN claimed
CN-107349960-A A kind of nitrogenous cross-linked polymer supported nanometer gold catalyst and its preparation and the application in aqueous medium in alcohol selective oxidation reaction 中国科学院大连化学物理研究所 2017-11-17 — — CN claimed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 — — CN disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
CN-111039750-B Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-12-22 — — CN disclosed
CN-111039750-A Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-04-21 — — CN disclosed
CN-108299315-A A kind of preparation method of acaricide fenazaquin 杨子辉 2018-07-20 — — CN disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 — — US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 — — US disclosed
WO-2008128821-A1 LAYERS COMPOSITE COMPRISING A PYROGENIC ZINC OXIDE LAYER AND FIELD-EFFECT TRANSISTOR COMPRISING THIS COMPOSITE EVONIK DEGUSSA GMBH (DE) 2008-10-30 — — WO disclosed
US-7294725-B1 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 — — US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-5420343-A ANTIINFLAMMATORY AGENTS; CYCLOOXYGENASE INHIBITORS G. D. SEARLE & CO. (US) 1995-05-30 — — 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 (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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 TRPA1 3690/4885SLC6A3 4294/4885SLC6A2 4355/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 TRPA1 3690/4885SLC6A3 4294/4885SLC6A2 4355/4885

“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.