SCHEMBL2091146

SCHEMBL2091146

CN(C)C1(C=O)CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1B1 P15121 1/20 0.42
SIGMAR1 Q99720 4/20 0.39
EBP Q15125 1/20 0.38
MAOB P27338 1/20 0.38
CASP6 P55212 1/20 0.37

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
SCHEMBL4862191 0.76 MEN1 (0.53) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL6495897 0.72 KDM1A (0.51) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL27635341 0.72 AKR1B1 (0.44) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL28282552 0.72 KDM1A (0.47) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL27467088 0.72 AKR1B1 (0.44) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL27635358 0.72 AKR1B1 (0.44) KDM1AMEN1KMT2AAKR1B1SIGMAR1
Hydrochloric Acid SCHEMBL4427642 0.71 KDM1A (0.50) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL2091143 0.71 KDM1A (0.46) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL19577941 0.69 KDM1A (0.47) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL21479899 0.69 MEN1 (0.42) KDM1AMEN1KMT2AAKR1B1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4508413-B2 2010-07-21 JP claimed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US claimed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 EP claimed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US claimed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US claimed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP claimed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 WO claimed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 EP disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 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 (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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO KDM1A 4196/4885MEN1 3561/4885KMT2A 4211/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 KDM1A 4151/4885MEN1 3701/4885KMT2A 4054/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO KDM1A 4196/4885MEN1 3561/4885KMT2A 4211/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO KDM1A 4196/4885MEN1 3561/4885KMT2A 4211/4885

“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.