SCHEMBL19267609

SCHEMBL19267609

CC(C)(C)OC(=O)C(CCC(=O)O)CC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ CASP3 P42574 4/20 0.41
▸ FABP5 Q01469 3/20 0.40
▸ FABP7 O15540 2/20 0.40
▸ MDM2 Q00987 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL16060729 0.82 KMT2A (0.45) KMT2ACASP3FABP5FABP7MDM2
SCHEMBL28124877 0.82 KMT2A (0.45) KMT2ACASP3FABP5FABP7MDM2
SCHEMBL30983357 0.80 KMT2A (0.43) KMT2ACASP3FABP5FABP7MDM2
SCHEMBL28124871 0.80 KMT2A (0.43) KMT2ACASP3FABP5FABP7MDM2
SCHEMBL29792137 0.79 KMT2A (0.52) KMT2ACASP3MDM2PTPN1MDM4
SCHEMBL29989986 0.79 KMT2A (0.52) KMT2ACASP3MDM2PTPN1MDM4
SCHEMBL5323666 0.79 KMT2A (0.52) KMT2ACASP3MDM2PTPN1MDM4
SCHEMBL9333701 0.79 KMT2A (0.44) KMT2ACASP3FABP5FABP7MDM2
SCHEMBL30074491 0.79 KMT2A (0.52) KMT2ACASP3MDM2PTPN1MDM4
SCHEMBL1709129 0.79 KMT2A (0.52) KMT2ACASP3MDM2PTPN1MDM4

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
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2017-08-31 — — US disclosed
US-20170239362-A1 Growth Hormones with Prolonged In-Vivo Efficacy NOVO NORDISK HEALTHCARE AG (CH) 2017-08-24 — — US disclosed
US-20170239362-A1 Growth Hormones with Prolonged In-Vivo Efficacy NOVO NORDISK HEALTHCARE AG (CH) 2017-08-24 — — US disclosed
US-9708363-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2017-07-18 — — US disclosed
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2016-08-25 — — US disclosed
US-9290537-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2016-03-22 — — US disclosed
US-9192682-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (IN) 2015-11-24 — — US disclosed
US-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates ENDOCYTE, INC. (US) 2014-07-31 — — US disclosed
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2013-10-31 — — US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 — — US disclosed
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2011-07-14 — — US 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 (6 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-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR KMT2A 2903/4885CASP3 4393/4885FABP5 217/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 KMT2A 4564/4885CASP3 1433/4885FABP5 1048/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 KMT2A 4564/4885CASP3 1433/4885FABP5 1048/4885
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR KMT2A 2583/4885CASP3 4211/4885FABP5 336/4885
US-20170239362-A1 Growth Hormones with Prolonged In-Vivo Efficacy SHBG, GHRHR, GHITM KMT2A 3466/4885CASP3 3715/4885FABP5 396/4885
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES FOLR1, FOLR2, DHFR KMT2A 2903/4885CASP3 4393/4885FABP5 217/4885

“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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