SCHEMBL2090477

SCHEMBL2090477

C=CCNC([C]=O)C(C)CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.30

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
SCHEMBL2090480 1.00 ALDH1A1 (0.32) ALDH1A1FAAH
SCHEMBL2090728 1.00 ALDH1A1 (0.32) ALDH1A1FAAH
SCHEMBL7161883 0.82 SLC6A4 (0.32)
SCHEMBL7161881 0.82 SLC6A4 (0.32)
SCHEMBL2092276 0.74
SCHEMBL2092278 0.74
SCHEMBL2090482 0.71 SLC6A4 (0.30)
SCHEMBL6852863 0.70
SCHEMBL6852866 0.70
SCHEMBL5312610 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268636-C Dolastatin 15 derivatives ABSF AG (DE) 2006-08-09 CN claimed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 EP claimed
CN-1264388-A Dolastatin 15 derivatives ABSF AG (DE) 2000-08-23 CN 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
CN-1268636-C Dolastatin 15 derivatives ABSF AG (DE) 2006-08-09 CN disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US 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-20010018422-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT 2001-08-30 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
CN-1264388-A Dolastatin 15 derivatives ABSF AG (DE) 2000-08-23 CN disclosed
US-5985837-A CELL GROWTH INHIBITOR PEPTIDES; TREATING CANCER IN A MAMMAL BASF AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 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 (5 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 ALDH1A1 1830/4885FAAH 1269/4885
US-20010018422-A1 Dolastatin 15 derivatives SLCO2B1, SLCO2A1, DDOST ALDH1A1 768/4885FAAH 1105/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 ALDH1A1 1840/4885FAAH 1118/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO ALDH1A1 1830/4885FAAH 1269/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO ALDH1A1 1830/4885FAAH 1269/4885

“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.