SCHEMBL1111381

SCHEMBL1111381

OCC(O)CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
METAP2 P50579 1/20 0.34
EPHX1 P07099 1/20 0.32

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
SCHEMBL11739573 0.98 METAP1 (0.42) METAP1THRBCYP1A2SIGMAR1KDM4E
SCHEMBL7429602 0.88 METAP1 (0.50) METAP1CYP1A2SIGMAR1KDM4EHPGD
SCHEMBL2952373 0.88
SCHEMBL101244 0.85 SIGMAR1 (0.45) METAP1THRBCYP1A2SIGMAR1ALDH1A1
SCHEMBL8585482 0.84 SIGMAR1 (0.48) METAP1CYP1A2SIGMAR1ALDH1A1EPHX1
SCHEMBL13169084 0.82 METAP1 (0.46) METAP1CYP1A2SIGMAR1KDM4EALDH1A1
SCHEMBL10768147 0.80 METAP1 (0.44) METAP1CYP1A2SIGMAR1HPGDMETAP2
SCHEMBL14398008 0.80 CYP1A2 (0.46) METAP1CYP1A2SIGMAR1KDM4EALDH1A1
SCHEMBL10763159 0.80 METAP1 (0.48) METAP1CYP1A2SIGMAR1KDM4ELMNA
SCHEMBL28126617 0.79 METAP1 (0.41) METAP1CYP1A2SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083887-B Inhibit the compound of BTK and/or JAK3 kinase activity 北京韩美药品有限公司 2018-11-20 CN disclosed
CN-106065017-B Inhibit the compound of BTK and/or JAK3 kinase activities 北京韩美药品有限公司 2018-06-01 CN disclosed
EP-2958682-B1 PRINTABLE RADIATION CURABLE BARRIER COATINGS SUN CHEMICAL CORP (US) 2018-04-25 EP disclosed
CN-104311573-B Compounds that inhibit BTK and/or JAK3 kinase activity 北京韩美药品有限公司 2017-12-15 CN disclosed
US-9701860-B2 Printable radiation curable barrier coatings SUN CHEMICAL CORPORATION (US) 2017-07-11 US disclosed
US-20160009939-A1 PRINTABLE RADIATION CURABLE BARRIER COATINGS SUN CHEMICAL CORPORATION (US) 2016-01-14 US disclosed
EP-2279219-B1 USE OF A CYCLOHEXANE DIOL MIXTURE FOR MANUFACTURING POLYMERS BASF SE (DE) 2013-04-17 EP disclosed
US-20120157548-A1 USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES BASF SE (DE) 2012-06-21 US disclosed
US-20110040030-A1 USE OF A CYCLOHEXANE DIOL MIXTURE FOR MANUFACTURING POLYMERS BASF SE (DE) 2011-02-17 US disclosed
EP-2279219-A1 USE OF A CYCLOHEXANE DIOL MIXTURE FOR MANUFACTURING POLYMERS BASF SE (DE) 2011-02-02 EP disclosed
WO-2009138387-A1 USE OF A CYCLOHEXANE DIOL MIXTURE FOR MANUFACTURING POLYMERS BASF SE (DE) 2009-11-19 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 (1 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-20120157548-A1 USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES DDT, DBH, GABBR1 METAP1 1670/4885THRB 1764/4885CYP1A2 588/4885

“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.