Cyclohexane

Cyclohexane

SCHEMBL5838004

C1CCCCC1.OC(O)CC1CCCCC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6548556 1.00 TP53 (0.39) TP53KDM4EGMNNLMNAMAPT
SCHEMBL4756623 1.00 TP53 (0.39) TP53KDM4EGMNNLMNAMAPT
SCHEMBL20038792 0.97
SCHEMBL16792336 0.91
SCHEMBL1337717 0.84
SCHEMBL13169085 0.82 TP53 (0.39) TP53KDM4EGMNNLMNAMAPT
SCHEMBL20354169 0.82 KDM4E (0.42) TP53KDM4E
SCHEMBL10843765 0.79 KDM4E (0.37) TP53KDM4ELMNA
SCHEMBL5981075 0.78 TP53 (0.36) TP53KDM4EGMNNLMNAMAPT
SCHEMBL8137257 0.78 TP53 (0.36) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122627-B2 Lactam inhibitors of Hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
US-20040171556-A1 Methods for inhibiting proteasome BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US disclosed
WO-2004064755-A2 METHODS FOR INHIBITING PROTEASOME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-05 WO disclosed
US-6586615-B1 Boron compounds such as 1-amino-3,3-difluoropropyl boronate pinacol ester used as intermediates for antagonists of serine proteases, leukocyte elastases, cathepsins, chymotrypsin and hepatitis virus enzyme inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-07-01 US disclosed
US-20030008828-A1 Diagnostic kits; for therapy of viral infection; as assat standard or reagent BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US disclosed
WO-2002054931-A2 ALPHA-AMINOBORONIC ACIDS PREPARED BY NOVEL SYNTHETIC METHODS BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO disclosed
EP-1206449-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-22 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001007407-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-02-01 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 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 (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-20030008828-A1 Diagnostic kits; for therapy of viral infection; as assat standard or reagent PRSS3, PRSS1, PREP TP53 2252/4885KDM4E 4253/4885GMNN 2631/4885
US-20040171556-A1 Methods for inhibiting proteasome PSMB1, PSMB11, PSMG3 TP53 376/4885KDM4E 1782/4885GMNN 1257/4885

“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.