SCHEMBL15071090

SCHEMBL15071090

CCCOC(=O)C1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.49
PTPN1 P18031 1/20 0.49
PPP1CC P36873 1/20 0.49
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL20267266 1.00 PPM1B (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL20272016 1.00 PPM1B (0.49) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL5968081 0.94 PPM1B (0.45) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL6141464 0.92
SCHEMBL526510 0.92 PPM1B (0.55) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL12947777 0.89 ALDH1A1 (0.45) PPM1BPTPN1PPP1CCALDH1A1HCAR2
SCHEMBL11776740 0.87 NAAA (0.48) ALDH1A1SMN1; SMN2HCAR2
SCHEMBL1297212 0.86 MAPT (0.51) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL15071095 0.85 NAAA (0.52) SMN1; SMN2HCAR2
SCHEMBL1296724 0.84 PPM1B (0.49) PPM1BPTPN1PPP1CCALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 US disclosed
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
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-20160354471-A1 Pine Bark Extract and Black Pepper Essential Oil with Anti-Inflammatory and Anti-Arthritic Action and Method of Preparing CAVALLARO ANTONINO (US) 2016-12-08 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
US-9095607-B2 Gel for topical application of clove essential oil with broad spectrum anti-inflammatory action and method of preparing same CAVALLARO ANTONINO (US) 2015-08-04 US disclosed
US-20150182578-A1 GEL FOR TOPICAL APPLICATION OF CLOVE ESSENTIAL OIL WITH BROAD SPECTRUM ANTI-INFLAMMATORY ACTION AND METHOD OF PREPARING SAME CAVALLARO ANTONINO (US) 2015-07-02 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 (3 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 PPM1B 3305/4885PTPN1 3164/4885PPP1CC 4144/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 PPM1B 2880/4885PTPN1 3760/4885PPP1CC 2287/4885
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP PPM1B 3305/4885PTPN1 3164/4885PPP1CC 4144/4885

“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.