SCHEMBL17192730

SCHEMBL17192730

COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(O)cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ MDM2 Q00987 1/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ SLC17A5 Q9NRA2 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8410923 1.00 KMT2A (0.45) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL12555211 0.95 KMT2A (0.47) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL4395836 0.92 KMT2A (0.45) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL9706968 0.92 KMT2A (0.45) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL12873284 0.91 LMNA (0.46) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL1623874 0.91 KMT2A (0.44) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL12588064 0.89 KMT2A (0.42) KMT2AMEN1EPHX2MDM2CASP3
SCHEMBL1745934 0.89 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL16316701 0.89 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL3367289 0.89 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5

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-110114075-A Disulfide-containing cell penetrating peptides and methods of making and using the same 俄亥俄州国家创新基金会 2019-08-09 — — CN disclosed
CN-108026153-A The alternatively new exendin-4 derivative of the dual GLP-1/ glucagon receptors activator of property peptide 赛诺菲 2018-05-11 — — CN disclosed
CN-107636007-A Beta hairpin peptide mimics 波利弗尔股份公司 2018-01-26 — — CN disclosed
CN-104220452-B For the APELIN analogies for the synthesis for treating heart failure 诺华股份有限公司 2018-01-26 — — CN disclosed
CN-107406490-A Synthesis APELIN fatty acid conjugates with improved half-life period 诺华股份有限公司 2017-11-28 — — CN disclosed
CN-107073130-A Fatty acids and their use in conjugation with biomolecules 诺华股份有限公司 2017-08-18 — — CN disclosed
CN-106573955-A Site-specific protein modification 诺华股份有限公司 2017-04-19 — — CN disclosed
US-20150299261-A1 EPTIFIBATIDE PREPARATION METHOD CHENGDU SHENGNUO BIO TEC CO., LTD. (CN) 2015-10-22 — — US disclosed
CN-104220452-A Synthetic APELIN mimetics for treatment of heart failure NOVARTIS AG 2014-12-17 — — CN 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-20150299261-A1 EPTIFIBATIDE PREPARATION METHOD RXFP1, OGFR, RXFP3 KMT2A 3326/4885MEN1 4111/4885EPHX2 2725/4885

“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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