SCHEMBL20042065

SCHEMBL20042065

O=C(NC1CCCC1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CASP3 P42574 4/20 0.43
CTSL P07711 1/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL30054858 1.00 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL6347068 1.00 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL30421873 1.00 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL33377974 1.00 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL2568254 1.00 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL762530 1.00 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL2384012 0.97 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL800127 0.97 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL6383724 0.97 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB
SCHEMBL119535 0.97 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-12 US disclosed
US-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-12 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 (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-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 KMT2A 31/4885EPHX2 3767/4885FABP5 3856/4885

“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.