Cyclohexane

Cyclohexane

SCHEMBL509143

C1CCCCC1.C1CCCCC1.C1CCCCC1.CCOC(C)=O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
LMNA P02545 2/20 0.82
HSD17B10 Q99714 1/20 0.82
TSHR P16473 1/20 0.50
ALOX15 P16050 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SOAT1 P35610 1/20 0.46
TRPA1 O75762 1/20 0.42
GLO1 Q04760 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39

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
Cyclohexane SCHEMBL510060 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL232773 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL15635357 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL338160 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL232777 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL5908851 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL855765 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL1172967 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL416739 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Cyclohexane SCHEMBL7396484 1.00 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206499-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-18 CN disclosed
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 CN disclosed
US-11938199-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins INSTITUT PASTEUR (FR) 2024-03-26 US disclosed
US-11897890-B2 2-phenyl-3,4-dihydropyrrolo[2,1 -f] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2024-02-13 US disclosed
CN-113968824-B 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-01-19 CN disclosed
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2022-07-14 US disclosed
US-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-06-02 US disclosed
US-11242347-B2 2-phenyl-3,4-dihydropyrrolo[2,1-Ff] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2022-02-08 US disclosed
CN-113968824-A 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2022-01-25 CN disclosed
CN-108290896-B 2-phenyl-3, 4-dihydropyrrolo [2,1-F ] [1,2,4] triazinone derivatives and uses thereof 托帕杜制药公司 2021-09-28 CN disclosed
EP-0708777-A1 ABEO-ERGOLINE DERIVATIVES AS 5HT1A LIGANDS PHARMACIA & UPJOHN S.p.A. (IT) 1996-05-01 EP disclosed
EP-0705246-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
US-5496849-A THROMBOXANE A2 RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 1996-03-05 US disclosed
WO-1995028403-A1 ABEO-ERGOLINE DERIVATIVES AS 5HT1A LIGANDS PHARMACIA S.P.A. (IT) 1995-10-26 WO disclosed
CN-1104209-A 2,4-diamino-3-hydroxycarboxylic acid derivatives SANDOZ LTD (CH) 1995-06-28 CN disclosed
WO-1995000483-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO disclosed
EP-0621273-A1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-10-26 EP disclosed
EP-0615969-A1 2,4-Diamino-3-hydroxycarboxylic acid derivatives SANDOZ LTD. (CH) 1994-09-21 EP disclosed
US-4946841-A INHIBITORS OF HYDROXYMETHYLGLUTARIC ACID-COENZYME A REDUCTASE HOECHST AKTIENGESELLACHAFT (DE) 1990-08-07 US disclosed
US-4158726-A HIGH MOLECULAR WEIGHT, WATER-SOLUBLE CATIONIC ACRYLIC OR METHACRYLIC ESTER POLYMERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-06-19 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-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, GNAO1, PDE3A ALDH1A1 759/4885LMNA 2511/4885HSD17B10 142/4885
US-11938199-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins NISCH, HLCS, CYP3A5 ALDH1A1 972/4885LMNA 698/4885HSD17B10 3688/4885
US-11242347-B2 2-phenyl-3,4-dihydropyrrolo[2,1-Ff] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof PDE7A, PDE3A, CHRM3 ALDH1A1 809/4885LMNA 2605/4885HSD17B10 141/4885
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 852/4885LMNA 4184/4885HSD17B10 2454/4885
US-11897890-B2 2-phenyl-3,4-dihydropyrrolo[2,1 -f] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof PDE7A, GNAO1, PDE3A ALDH1A1 759/4885LMNA 2511/4885HSD17B10 142/4885

“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.