Sugi Predict

Sugi Predict / Compounds / Cyclohexane

Cyclohexane

Cyclohexane

SCHEMBL416739

C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.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 SCHEMBL509143 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298066-B1 DENDRI-TAC AND THEIR USE AS THERANOSTICS UNIV D'AVIGNON ET DES PAYS DE VAUCLUSE (FR) 2019-08-07 — — EP disclosed
US-10286091-B2 Dendri-TAC and their use as theranostics UNIVERSITE D'AVIGNON ET DES PAYS DU VAUCLUSE (FR) 2019-05-14 — — US disclosed
EP-3148537-B1 CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION UNIV PARIS DESCARTES (FR) 2018-09-26 — — EP disclosed
US-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-10 — — US disclosed
EP-3298066-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS Université d'Avignon et des Pays de Vaucluse (FR) 2018-03-28 — — EP disclosed
US-20170183306-A1 CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION UNIVERSITE PARIS DECARTES (FR) 2017-06-29 — — US disclosed
EP-3148537-A1 CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION Université Paris Descartes (FR) 2017-04-05 — — EP disclosed
WO-2016185425-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS UNIVERSITE D'AVIGNON ET DES PAYS DU VAUCLUSE (FR) 2016-11-24 — — WO disclosed
EP-3095806-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS Universite D'Avignon et Des Pays Du Vaucluse (FR) 2016-11-23 — — EP disclosed
US-9212196-B2 Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof UNIVERSITE PARIS DESCARTES (FR) 2015-12-15 — — US disclosed
US-5707982-A ANTITUMOR ROUSSEL UCLAF (FR) 1998-01-13 — — US disclosed
US-5663181-A Naphthyridine derivatives, their methods of preparation and pharmaceutical compositions in which they are present, useful especially as antiproliferative drugs LABORATOIRES UPSA (FR) 1997-09-02 — — US disclosed
CN-1125444-A Naphthyridine derivatives, process for their preparation and pharmaceutical compositions containing them, especially useful as antiproliferative agents UNION PHARMA SCIENT APPL (FR) 1996-06-26 — — CN disclosed
EP-0586017-A1 Heterocyclic compounds GLAXO S.p.A. (IT) 1994-03-09 — — EP disclosed
US-5290771-A 19-nor-steroids ROUSSEL UCLAF (FR) 1994-03-01 — — US disclosed
US-5149696-A Antiestrogens ROUSSEL UCLAF (FR) 1992-09-22 — — US disclosed
US-5063225-A Antiarrhythmia ROUSSEL UCLAF (FR) 1991-11-05 — — US disclosed
US-4900725-A CONTRACEPTIVES ROUSSEL UCLAF (FR) 1990-02-13 — — US disclosed
US-4774242-A ANTIANOXIC, HYPOTENSIVE, DOPAMINERGIC AGONIST ACTIVITY ROUSSEL UCLAF (FR) 1988-09-27 — — US disclosed
US-4661482-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1987-04-28 — — 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 (3 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-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS DBI, CDIPT, DGKI ALDH1A1 2512/4885LMNA 2780/4885HSD17B10 2087/4885
US-20170183306-A1 CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION CCR5, CD4, CCR7 ALDH1A1 189/4885LMNA 3737/4885HSD17B10 1840/4885
US-10286091-B2 Dendri-TAC and their use as theranostics DBI, CDIPT, DGKI ALDH1A1 2512/4885LMNA 2780/4885HSD17B10 2087/4885

“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.