Cyclohexane

Cyclohexane

SCHEMBL6664121

C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC(=O)CC1(CC(C)=O)CCCCC1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
CACNA2D1 P54289 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 2/20 0.35

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 SCHEMBL1243556 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL11032622 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
Cyclohexane SCHEMBL4960596 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2612029 0.97 ALDH1A1 (0.43) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2168378 0.91 ALDH1A1 (0.61) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL14448382 0.91 ALDH1A1 (0.61) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL8267491 0.88 ALDH1A1 (0.42) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL13863969 0.88 CYP1A2 (0.57) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL13544799 0.86 ALDH1A1 (0.41) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL12173742 0.86 ALDH1A1 (0.67) CYP1A2USP2ALDH1A1LMNATSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
EP-2827870-B1 CHEMICAL COMPOUNDS Rottapharm Biotech Srl (IT) 2016-05-25 EP disclosed
US-9174977-B2 2-azabicyclo[4.1.0]heptane derivatives as orexin receptor antagonists for the treatment of certain disorders ROTTAPHARM BIOTECH S.R.L. (IT) 2015-11-03 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20150065523-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2015-03-05 US disclosed
EP-2827870-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2015-01-28 EP disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP disclosed
WO-2013139730-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-09-26 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO disclosed
EP-1471067-A1 Derivatives of 2-oxothiadiazoline-4-carboxylic acid and its use as active photoprotective agent L'OREAL (FR) 2004-10-27 EP disclosed
EP-0418143-B1 Dicarboxylic acids derivatives containing a nitrogen or oxygen heteroring, process for their preparation and their use as medicines ROUSSEL UCLAF (FR) 1994-03-23 EP 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-20150065523-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY5R CYP1A2 577/4885USP2 3995/4885ALDH1A1 1567/4885
US-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R CYP1A2 747/4885USP2 2709/4885ALDH1A1 1588/4885

“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.