SCHEMBL289269

SCHEMBL289269

O=C(C1CCCC1)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRNB2 P17787 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 1/20 0.42
HSD11B1 P28845 2/20 0.40
NOS2 P35228 1/20 0.40
GAA P10253 1/20 0.40
EPHX1 P07099 4/20 0.39
RECQL P46063 1/20 0.39
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
HSD11B2 P80365 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Bromide SCHEMBL28055073 0.96 CES2 (0.56) CES2CES1HDAC8HDAC6TSHR
SCHEMBL993393 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27512061 0.96 CES2 (0.56) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6937404 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6141408 0.96 CES2 (0.56) CES2CES1HDAC8HDAC6TSHR
SCHEMBL346017 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL31486636 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL28141435 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27502916 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9861947 0.96 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775535-A Pure cation system photosensitive resin composition and preparation method thereof 上海信斯帝克新材料有限公司 2025-04-08 CN claimed
CN-115135648-A Dihydronaphthyridinone compounds, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-09-30 CN claimed
CN-111635999-A Method for extracting lithium from lithium-containing brine and preparing lithium hydroxide 孟元 2020-09-08 CN claimed
CN-111410216-A Method for extracting lithium from water with high magnesium-lithium ratio and preparing lithium carbonate 孟元 2020-07-14 CN claimed
CN-101087757-A Novel dipeptidyl peptidase iv inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS SA (CH) 2007-12-12 CN claimed
US-6677379-B2 SUCH AS 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR TREATMENT OF CORONARY ARTERY DISEASE PHARMACIA CORPORATION 2004-01-13 US claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
WO-2001039766-A2 SCREENING INVERTEBRATE PHEROMONES FOR THERAPEUTIC ACTIVITY ALYDAR PHARMACEUTICALS LTD. (IL) 2001-06-07 WO claimed
EP-0879219-B1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LAB (US) 2000-03-01 EP claimed
EP-0879219-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS Abbott Laboratories (US) 1998-11-25 EP claimed
WO-1998011036-A9 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS 1998-07-09 WO claimed
WO-1998011036-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LABORATORIES (US) 1998-03-19 WO claimed
CN-119775535-A Pure cation system photosensitive resin composition and preparation method thereof 上海信斯帝克新材料有限公司 2025-04-08 CN disclosed
CN-118146078-A Refining method of cyclopentyl formaldehyde 常州沃腾化工科技有限公司 2024-06-07 CN disclosed
CN-116283810-B Preparation method of isoxazole compound 上海麦克林生化科技股份有限公司 2024-04-19 CN disclosed
EP-4282973-A2 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-11-29 EP disclosed
US-4097521-A Manufacture of amidosulfonic acids BASF AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4053526-A PROCESS FOR ISOLATING DINITRONAPHTHALENES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4042587-A PESTICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed
US-3956316-A PROGESTATIONAL AND SALT-RETAINING AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 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 (1 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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CES2 287/4885CES1 32/4885HDAC8 3254/4885

“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.