SCHEMBL15071091

SCHEMBL15071091

CC(C)C1CCC(COC(=O)C2CCCCC2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.36
HCRTR2 O43614 1/20 0.31

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
SCHEMBL21243352 0.91 TP53 (0.49) TP53CYP3A4LMNAHCRTR2
SCHEMBL21243380 0.79 TP53 (0.35) TP53CYP3A4LMNA
SCHEMBL21243375 0.78 TRPM8 (0.41) TP53CYP3A4LMNAHCRTR2
SCHEMBL17124766 0.77 HCRTR2 (0.31) HCRTR2
SCHEMBL15071084 0.76 SHBG (0.34) LMNAHCRTR2
SCHEMBL11882934 0.74 HCRTR2 (0.38) LMNAHCRTR2
SCHEMBL11880271 0.74 HCRTR2 (0.38) LMNAHCRTR2
SCHEMBL6559290 0.74 HCRTR2 (0.38) LMNAHCRTR2
SCHEMBL21243383 0.74 ALDH1A1 (0.38) LMNAHCRTR2
SCHEMBL14980686 0.73 TP53 (0.49) TP53CYP3A4LMNA

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-RE46698-E1 Use of cyclohexanol derivatives as antimicrobial active compounds MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-RE46698-E1 Use of cyclohexanol derivatives as antimicrobial active compounds MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-9492364-B2 Use of cyclohexanol derivatives as antimicrobial active compounds MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-9492364-B2 Use of cyclohexanol derivatives as antimicrobial active compounds MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
WO-2015082034-A1 USE OF CYCLOHEXANOIC ACID DERIVATIVES AS PLASTICIZERS MERCK PATENT GMBH (DE) 2015-06-11 WO disclosed
US-20140335029-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140335029-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
WO-2013091775-A2 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE INGREDIENTS MERCK PATENT GMBH (DE) 2013-06-27 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-20140335029-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP TP53 4589/4885CYP3A4 115/4885LMNA 4136/4885
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP TP53 4589/4885CYP3A4 115/4885LMNA 4136/4885

“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.