SCHEMBL15071084

SCHEMBL15071084

CC(C)C1CCC(COC(=O)C2CCC(O)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL11828571 0.79 LMNA (0.39) LMNAMAPTMEN1KMT2A
SCHEMBL21243352 0.78 TP53 (0.49) LMNAHCRTR2
SCHEMBL10270125 0.76 MAPT (0.51) MAPTMEN1KMT2A
SCHEMBL11880271 0.76 HCRTR2 (0.38) LMNAHCRTR2
SCHEMBL11882934 0.76 HCRTR2 (0.38) LMNAHCRTR2
SCHEMBL824135 0.76 MAPT (0.51) MAPTMEN1KMT2A
SCHEMBL6559290 0.76 HCRTR2 (0.38) LMNAHCRTR2
SCHEMBL12303975 0.76 MAPT (0.51) MAPTMEN1KMT2A
SCHEMBL21243383 0.76 ALDH1A1 (0.38) LMNAHCRTR2MEN1KMT2A
SCHEMBL16662450 0.76 PPM1B (0.35) LMNA

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 SHBG 571/4885ROCK2 4795/4885ROCK1 4790/4885
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP SHBG 571/4885ROCK2 4795/4885ROCK1 4790/4885

“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.