SCHEMBL6013891

SCHEMBL6013891

NCCCCCCC=C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
BLM P54132 1/20 0.42
NFKB1 P19838 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PLG P00747 1/20 0.33

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
SCHEMBL5767700 0.89
SCHEMBL22166182 0.77
SCHEMBL11613483 0.76 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL11661337 0.76 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL24757207 0.74 PAOX (0.42) DNM1CA12CA1CA2CA3
SCHEMBL16026382 0.74 EP300 (0.52) LMNATSHRBLMALDH1A1THRB
SCHEMBL21140307 0.74 PAOX (0.42) DNM1CA12CA1CA2CA3
SCHEMBL11216974 0.74 EP300 (0.52) LMNATSHRBLMALDH1A1THRB
SCHEMBL28474676 0.74 TSHR (0.35) TSHR
SCHEMBL28472537 0.74 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1316543-B1 Process for the preparation of aminocarboxylic acids DEGUSSA (DE) 2006-06-21 EP disclosed
US-6916947-B2 Method of producing amino carboxylic acids DEGUSSA AG (DE) 2005-07-12 US disclosed
US-20030120084-A1 Method of producing amino carboxylic acids DEGUSSA AG 2003-06-26 US disclosed
EP-1316543-A1 Process for the preparation of aminocarboxylic acids Degussa AG (DE) 2003-06-04 EP 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-20030120084-A1 Method of producing amino carboxylic acids CA1, CA3, CA13 DNM1 3299/4885CA12 4/4885CA1 1/4885

“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.