SCHEMBL1707544

SCHEMBL1707544

CC1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
BLM P54132 2/20 0.41
GMNN O75496 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
FAAH O00519 4/20 0.37
CYP1B1 Q16678 1/20 0.36
HPGD P15428 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL485615 0.89 MGLL (0.44) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL4761414 0.84 MGLL (0.46) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL20365061 0.81 CYP1B1 (0.44) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19703766 0.80 HPGD (0.45) ALDH1A1MAPTNPSR1HPGDTP53
SCHEMBL10147918 0.79 MGLL (0.38) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL1275809 0.79 CYP1B1 (0.45) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19176752 0.79 CYP1B1 (0.45) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL21419553 0.79 CYP1B1 (0.45) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL12013343 0.78 ALDH1A1 (0.40) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL13339063 0.78 ALDH1A1 (0.37) MGLLALDH1A1LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845251-A1 LINKER CONTAINING ARYLNITRO, ANTIBODY-DRUG CONJUGATE CONTAINING LINKER AND USE OF LINKER Academy of Military Medical Sciences (CN) 2021-07-07 EP disclosed
WO-2020043129-A1 LINKER CONTAINING ARYLNITRO, ANTIBODY-DRUG CONJUGATE CONTAINING LINKER AND USE OF LINKER 中国人民解放军军事科学院军事医学研究院 2020-03-05 WO disclosed
WO-2019079357-A1 TNIK MODULATORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-04-25 WO disclosed
EP-2928504-B1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
EP-2931316-B1 HYDROXYL-POLYMER-DRUG-PROTEIN CONJUGATES MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
EP-3228325-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2017-10-11 EP disclosed
US-20160193355-A1 Novel linker, preparation method, and application thereof QIN GANG (CN) 2016-07-07 US disclosed
US-9308273-B2 Polymer derivatives comprising an acetal or ketal branching point NEKTAR THERAPEUTICS (US) 2016-04-12 US disclosed
US-9102699-B2 Sialic acid derivatives LIPOXEN TECHNOLOGIES LIMITED (GB) 2015-08-11 US disclosed
US-20140309409-A1 Sialic Acid Derivatives LIPOXEN TECHNOLOGIES LIMITED (GB) 2014-10-16 US disclosed
US-8765936-B2 Sialic acid derivatives LIPOXEN TECHNOLOGIES LIMITED (GB) 2014-07-01 US disclosed
US-8562965-B2 Polymer derivatives comprising an acetal or ketal branching point NEKTAR THERAPEUTICS (US) 2013-10-22 US disclosed
US-20130096294-A1 SIALIC ACID DERIVATIVES LIPOXEN TECHNOLOGIES LIMITED (GB) 2013-04-18 US disclosed
US-20120089222-A1 Photo-Activated Attachment Of Cholesterol To Polyurethane Surfaces For Adhesion Of Endothelial Cells THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2012-04-12 US disclosed
US-20120089222-A1 Photo-Activated Attachment Of Cholesterol To Polyurethane Surfaces For Adhesion Of Endothelial Cells THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2012-04-12 US disclosed
WO-2010118306-A1 PHOTO-ACTIVATED ATTACHMENT OF CHOLESTEROL TO POLYURETHANE SURFACES FOR ADHESION OF ENDOTHELIAL CELLS THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2010-10-14 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-20140309409-A1 Sialic Acid Derivatives NEU2, NEU4, NEU1 MGLL 3583/4885ALDH1A1 490/4885LMNA 1911/4885
US-20160193355-A1 Novel linker, preparation method, and application thereof ENGASE, SORT1, DNPEP MGLL 1658/4885ALDH1A1 837/4885LMNA 1184/4885

“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.