SCHEMBL2083406

SCHEMBL2083406

O=C(CI)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 10/20 0.63
▸ MAPT P10636 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ SMAD3 P84022 1/20 0.63
▸ PRMT1 Q99873 1/20 0.63
▸ ACE2 Q9BYF1 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ KCNH2 Q12809 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ ALOX12 P18054 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ BRCA1 P38398 1/20 0.46

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
SCHEMBL5497717 0.88 FTO (0.66) FTOMAPTHPGDMEN1HTT
SCHEMBL14769914 0.88 FTO (0.63) FTOMAPTHPGDMEN1HTT
SCHEMBL29838678 0.85 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL29996062 0.85 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL20095 0.85 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL29358729 0.85 FTO (0.69) FTOMAPTHPGDMEN1HTT
Water SCHEMBL25247555 0.84 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL2877099 0.84 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL15059064 0.84 FTO (0.70) FTOMAPTHPGDMEN1HTT
SCHEMBL12275226 0.84 FTO (0.72) FTOMAPTHPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3493855-A1 COMPOSITIONS AND METHODS FOR DETECTING CANCER CELLS IN A TISSUE SAMPLE ISI Life Sciences, Inc. (US) 2019-06-12 — — EP disclosed
WO-2018026965-A1 COMPOSITIONS AND METHODS FOR DETECTING CANCER CELLS IN A TISSUE SAMPLE ISI LIFE SCIENCES, INC. (US) 2018-02-08 — — WO disclosed
US-8163788-B2 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT BONN (DE) 2012-04-24 — — US disclosed
US-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT (DE) 2009-04-23 — — US disclosed
EP-1811997-A2 LOW-MOLECULAR INHIBITORS OF CYTOHESIN-FAMILY GUANINE NUCLEOTIDE EXCHANGE FACTORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-08-01 — — EP disclosed
WO-2006053903-A2 LOW-MOLECULAR INHIBITORS OF CYTOHESIN-FAMILY GUANINE NUCLEOTIDE EXCHANGE FACTORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2006-05-26 — — 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-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors CYTH2, CYTH3, ENTPD5 FTO 4583/4885MAPT 4844/4885HPGD 1408/4885

“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.

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