SCHEMBL1447879

SCHEMBL1447879

CCC(=O)CCC([C]=O)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL10825100 0.78
SCHEMBL14764484 0.74 CA2 (0.40) ALDH1A1
SCHEMBL11331363 0.72 MAPT (0.45)
SCHEMBL891222 0.72
SCHEMBL4379448 0.71
SCHEMBL28420028 0.71 TDP1 (0.41) TDP1ALDH1A1
SCHEMBL8458707 0.71 MAPT (0.48)
SCHEMBL11329644 0.71 MAPT (0.48)
SCHEMBL5158482 0.71 MAPT (0.48)
SCHEMBL4343852 0.70 TDP1 (0.39) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016011920-A1 ALYSINE MONOMETHYLATED DERIVATIVE AND CORRESPONDING ANTIBODY AND USE THEREOF PMT BIOLABS INC (CN) 2016-01-28 WO disclosed
WO-2011035355-A1 NOVEL ANTIMALARIAL 3-AZABICYCLO[3.2.2]NONANE DERIVATIVES UNIVERSITY OF GRAZ (AT) 2011-03-31 WO disclosed
EP-2301627-A1 Novel antimalarial 3-azabicyclo[3.2.2]nonane derivatives University of Graz (AT) 2011-03-30 EP disclosed
US-7091313-B2 Synthesis of template-fixed β-hairpin loop mimetics UNIVERSITAT ZURICH (CH) 2006-08-15 US disclosed
US-7030135-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-04-18 US disclosed
US-20050181454-A1 Synthesis of template-fixed beta-hairpin loop mimetics UNIVERSITY OF ZURICH AND POLYPHOR AG 2005-08-18 US disclosed
US-20030199501-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-10-23 US disclosed
US-4235913-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1980-11-25 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 (2 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-20030199501-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 TDP1 684/4885ALDH1A1 409/4885
US-20050181454-A1 Synthesis of template-fixed beta-hairpin loop mimetics EBPL, QPCTL, SUCLG2 TDP1 3470/4885ALDH1A1 4350/4885

“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.