SCHEMBL6821576

SCHEMBL6821576

CCCCCCCCC(I)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
CPB2 Q96IY4 2/20 0.46
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CA2 P00918 1/20 0.41
FAAH O00519 1/20 0.41
SMPD1 P17405 2/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL27962371 1.00 ZDHHC7 (0.47) ZDHHC7CPB2GPR84FFAR1MAPT
SCHEMBL26105313 1.00 ZDHHC7 (0.47) ZDHHC7CPB2GPR84FFAR1MAPT
SCHEMBL27962385 0.98 ZDHHC7 (0.44) ZDHHC7CPB2GPR84FFAR1MAPT
SCHEMBL6817900 0.92 CA2 (0.44) ZDHHC7CPB2CA2
SCHEMBL2865545 0.92 CPB2 (0.47) ZDHHC7CPB2
SCHEMBL27962361 0.90 FAAH (0.54) FFAR1MAPTPPARDFAAHFFAR4
SCHEMBL6761975 0.87 CPB2 (0.43) CPB2
SCHEMBL8027706 0.86 NAAA (0.47) ZDHHC7GPR84FFAR1MAPTLCK
SCHEMBL29190360 0.86 ZDHHC7 (0.48) ZDHHC7GPR84FFAR1MAPTLCK
SCHEMBL30791313 0.86 ZDHHC7 (0.48) ZDHHC7GPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103910741-B Bisbenzylisoquinolincompounds trimethyl-glycine and preparation method thereof and the application in antitumor drug preparation Shangdong Normal University (CN) 2016-04-13 CN claimed
CN-103910741-A Bisbenzylisoquinoline betaine as well as preparation method thereof and application thereof in preparation of anti-tumor medicament UNIV SHANDONG NORMAL 2014-07-09 CN claimed
CN-103910738-B A kind of Bisbenzylisoquinolincompounds quaternary ammonium salt and preparation method thereof and the application in preparing antitumor drug 山东师范大学 2016-07-06 CN disclosed
CN-103910741-B Bisbenzylisoquinolincompounds trimethyl-glycine and preparation method thereof and the application in antitumor drug preparation Shangdong Normal University (CN) 2016-04-13 CN disclosed
EP-1303527-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS (DK) 2004-09-29 EP disclosed
EP-1303527-A1 MATRIX METALLOPROTEINASE INHIBITORS Leo Pharma A/S (DK) 2003-04-23 EP disclosed
US-6521606-B2 2-(4-Chlorophenoxy)-2-oxo-1,3,2-oxazaphosphorinane-3-aceto -hydroxamic acid, for example; antiathritic, -tumor, -metastasis, -proliferative and -ulcer agents; multiple sclerosis; vision defects; skin disorders LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2003-02-18 US disclosed
US-20020103166-A1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-08-01 US disclosed
WO-2002006293-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA A/S (DK) 2002-01-24 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-20020103166-A1 Matrix metalloproteinase inhibitors MMP1, MMP9, MMP8 ZDHHC7 654/4885CPB2 1861/4885GPR84 1178/4885

“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.