SCHEMBL15071083

SCHEMBL15071083

CC1CC(OC(=O)C2CCC(O)CC2)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
PPP1CA P62136 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APLNR P35414 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL14422632 0.78 LMNA (0.49) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL11591282 0.77 ALDH1A1 (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL11591288 0.77 ALDH1A1 (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL15071087 0.77 LMNA (0.45) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL273538 0.75 ALDH1A1 (0.55) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL273013 0.75 ALDH1A1 (0.55) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL7755993 0.75 LMNA (0.55) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL11591517 0.75 LMNA (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL273014 0.75 ALDH1A1 (0.55) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL112071 0.75 ALDH1A1 (0.55) LMNAALDH1A1CYP3A4CYP1A2CYP2C9

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 LMNA 4136/4885ALDH1A1 437/4885CYP3A4 115/4885
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP LMNA 4136/4885ALDH1A1 437/4885CYP3A4 115/4885

“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.