Cyclohexane

Cyclohexane

SCHEMBL5060767

C1CCCCC1.CCCCc1ccc(C(=O)O)c(C(=O)O)c1CCCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 5/20 0.42
MCL1 Q07820 5/20 0.42
BCL2L1 Q07817 4/20 0.42
BAK1 Q16611 4/20 0.42
PPARA Q07869 4/20 0.42
KAT8 Q9H7Z6 2/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42

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
SCHEMBL5150739 0.95 BID (0.45) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL22769 0.95 BID (0.45) BIDMCL1BCL2L1BAK1PPARA
Methyl Alcohol SCHEMBL28771989 0.94 BID (0.44) BIDMCL1BCL2L1BAK1PPARA
Methane SCHEMBL3630789 0.94 BID (0.44) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL9580941 0.92 PPARA (0.50) BIDMCL1BCL2L1BAK1PPARA
Alcohol SCHEMBL11202827 0.92 PPARA (0.43) BIDMCL1BCL2L1BAK1PPARA
Acetone SCHEMBL356939 0.92 BID (0.43) BIDMCL1BCL2L1BAK1PPARA
Cyclohexanone SCHEMBL8480033 0.92 PPARA (0.38) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5531460 0.91 PPARA (0.52) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5516966 0.91 PPARA (0.52) BIDMCL1BCL2L1BAK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176792-A1 VEGFR-1 TARGETING PEPTIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-07-24 US disclosed
EP-1315840-A4 BIOPANNING AND RAPID ANALYSIS OF SELECTIVE INTERACTIVE LIGANDS (BRASIL) UNIV TEXAS (US) 2005-11-02 EP disclosed
US-20050074747-A1 Biopanning and rapid analysis of selective interactive ligands (brasil) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-04-07 US disclosed
EP-1315840-A2 BIOPANNING AND RAPID ANALYSIS OF SELECTIVE INTERACTIVE LIGANDS (BRASIL) THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-06-04 EP disclosed
WO-2002020822-A2 BIOPANNING AND RAPID ANALYSIS OF SELECTIVE INTERACTIVE LIGANDS (BRASIL) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-03-14 WO 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-20080176792-A1 VEGFR-1 TARGETING PEPTIDES FLT1, KDR, FLT4 BID 194/4885MCL1 240/4885BCL2L1 162/4885

“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.