SCHEMBL13858960

SCHEMBL13858960

CC(C)N1CCCC(Cc2ccccc2)(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CHRM1 P11229 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 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
SCHEMBL13957387 0.92 OPRM1 (0.43) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL13859008 0.87 KDM4E (0.51) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL13859077 0.85 KDM4E (0.66) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL8819668 0.80 KDM4E (0.56) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL8819660 0.80 KDM4E (0.56) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL7645984 0.79 KMT2A (0.53) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL13858946 0.77 GAA (0.58) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL1223187 0.76 KMT2A (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3716772 0.76 MAOA (0.45) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL5818358 0.76 AKR1C1 (0.47) KDM4EKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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 (4 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KDM4E 648/4885KMT2A 1279/4885MEN1 128/4885
US-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 KDM4E 2198/4885KMT2A 1233/4885MEN1 1654/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS KDM4E 729/4885KMT2A 1455/4885MEN1 127/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KDM4E 608/4885KMT2A 1278/4885MEN1 130/4885

“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.