Cyclohexane

Cyclohexane

SCHEMBL1163673

C1CCCCC1.CC(C)=O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
TSHR P16473 2/20 0.46
FFAR3 O14843 2/20 0.46
THPO P40225 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CA1 P00915 2/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA2 P00918 1/20 0.36
PTGS1 P23219 1/20 0.36
MMP12 P39900 1/20 0.36
CA4 P22748 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NFKB1 P19838 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
Acetone SCHEMBL4764913 1.00
Cyclopentane SCHEMBL8144947 1.00
Cyclohexane SCHEMBL15265364 1.00 LMNA (0.67) LMNATSHRFFAR3THPOLCK
Acetone SCHEMBL10491461 1.00
Cyclohexane SCHEMBL15266693 1.00 LMNA (0.67) LMNATSHRFFAR3THPOLCK
Cyclohexane SCHEMBL4290256 0.95 LMNA (0.60) LMNATSHRFFAR3THPOLCK
Cyclohexane SCHEMBL7527599 0.87 LMNA (0.50) LMNATSHRFFAR3THPOLCK
Cyclohexane SCHEMBL11040391 0.84 FFAR3 (0.70) LMNATSHRFFAR3THPOLCK
Cyclohexane SCHEMBL175231 0.84 FFAR3 (0.70) LMNATSHRFFAR3THPOLCK
Acetic Acid SCHEMBL1396702 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063695-A Phosphorus-nitrogen expansion type flame-retardant gel electrolyte and preparation method and application thereof 中国人民解放军军事科学院防化研究院 2024-05-24 CN claimed
CN-117356572-A Spinosad dry suspending agent and preparation method thereof 河北兴柏农业科技股份有限公司 2024-01-09 CN claimed
CN-115452753-A System and method for detecting proportion of single solvent in plant extraction double-solvent system 晨光生物科技集团股份有限公司 2022-12-09 CN claimed
CN-114276316-A Separation and purification method of key intermediate isomer of eribulin mesylate 南京格亚医药科技有限公司 2022-04-05 CN claimed
CN-114019058-A Combined detection method for chlorophenol organic pollutants in food 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2022-02-08 CN claimed
CN-112229929-A Method for on-line GPC-GC-MS/MS non-target rapid screening of pesticide residues in tea 贵阳海关综合技术中心(贵州国际旅行卫生保健中心、贵阳海关口岸门诊部) 2021-01-15 CN claimed
CN-106422964-A Asymmetric cationic organic silicon gemini surfactant and preparation method thereof 陕西科技大学 2017-02-22 CN claimed
US-20160324821-A1 COMPOUNDS CONTAINING S-N-VALERYL-N--VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND CATIONS NOVARTIS AG (CH) 2016-11-10 US claimed
CN-104713974-A Method for determining 55 kinds of pesticide residues in vegetable AGRICULTURAL PRODUCT PROC RES INST CHINESE ACADEMY OF TROPICAL AGRICULTURAL SCIENCES 2015-06-17 CN claimed
US-20110208190-A1 Natural Polymer-Based Porous Orthopedic Fixation Screw for Bone Repair and Regeneration UNIVERSITY OF CONNECTICUT (US) 2011-08-25 US claimed
US-20100041885-A1 CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-18 US claimed
CN-101598707-A The residual detection method of Multiple Pesticides in a kind of oil-containing food YANTAI JIEKE INSPECTION CO LTD (CN) 2009-12-09 CN claimed
WO-2009120746-A2 CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-10-01 WO claimed
US-7485663-B2 Carvedilol TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-02-03 US claimed
US-20080097101-A1 Industrial process for preparation of clopidogrel hydrogen sulphate IPCA LABORATORIES LIMITED (IN) 2008-04-24 US claimed
US-20040225132-A1 Carvedilol HILDESHEIM JEAN (IL) 2004-11-11 US claimed
US-20020143045-A1 Carvedilol TEVA PHARMACEUTICALS USA, INC. 2002-10-03 US claimed
WO-2024141326-A1 COMPOSITIONS COMPRISING 4-MEMBERED RING CARBOXAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-04 WO disclosed
US-3960945-A 4-[-(Alkoxy or polyhaloalkoxy)-benzamido]cyclohexanones STERLING DRUG INC. (US) 1976-06-01 US disclosed
US-3947520-A Compounds and process for preparing the same THE UPJOHN COMPANY (US) 1976-03-30 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 (5 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-20160324821-A1 COMPOUNDS CONTAINING S-N-VALERYL-N--VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND CATIONS MME, REN, AGTR1 LMNA 66/4885TSHR 1492/4885FFAR3 27/4885
US-20100041885-A1 CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE DPP4, DPP7, DPP9 LMNA 3524/4885TSHR 3649/4885FFAR3 3688/4885
US-20080097101-A1 Industrial process for preparation of clopidogrel hydrogen sulphate PRKD2, PRKCD, HSD3B1 LMNA 4408/4885TSHR 1945/4885FFAR3 306/4885
US-20040225132-A1 Carvedilol REN, ADRB1, ADRB2 LMNA 559/4885TSHR 3165/4885FFAR3 571/4885
US-20020143045-A1 Carvedilol REN, ADRB1, ADRB2 LMNA 559/4885TSHR 3165/4885FFAR3 571/4885

“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.