SCHEMBL15071095

SCHEMBL15071095

CCCCCCOC(=O)C1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
PPARG P37231 3/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.43
EPHX2 P34913 1/20 0.42
CES2 O00748 1/20 0.42
GBA2 Q9HCG7 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL11776740 0.98 NAAA (0.48) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL12947777 0.93 ALDH1A1 (0.45) NAAAPPARGTSHREPHX2HCAR2
SCHEMBL1297087 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL1296979 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL1296423 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL22361227 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL1296678 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL1296572 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL1297435 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2
SCHEMBL1296840 0.93 NAAA (0.59) NAAAPPARGEPHX1TSHREPHX2

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 NAAA 992/4885PPARG 527/4885EPHX1 1990/4885
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP NAAA 992/4885PPARG 527/4885EPHX1 1990/4885

“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.