SCHEMBL336776

SCHEMBL336776

C=C(C)C(=O)NCCCCN(C)C.C=CC(=O)NCCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.40
CBLB Q13191 1/20 0.34
HTT P42858 2/20 0.33
PAOX Q6QHF9 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
DNM1 Q05193 1/20 0.33
NFKB1 P19838 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL8040748 0.96 ALDH1A1 (0.45) ZDHHC20ZDHHC2ALDH1A1KDM4EHTT
SCHEMBL7630928 0.92 ALDH1A1 (0.49) ZDHHC20ZDHHC2ALDH1A1KDM4EHTT
SCHEMBL8034285 0.92 ALDH1A1 (0.49) ZDHHC20ZDHHC2ALDH1A1KDM4EHTT
SCHEMBL8040763 0.92 ZDHHC20 (0.40) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL7633571 0.92 ZDHHC20 (0.40) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL10928630 0.87 ALDH1A1 (0.54) ZDHHC20ZDHHC2ALDH1A1KDM4EPAOX
SCHEMBL4729138 0.87 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1KDM4ECBLB
SCHEMBL7629628 0.82 ALDH1A1 (0.58) ZDHHC20ZDHHC2ALDH1A1KDM4EHTT
SCHEMBL8145686 0.82 KDM4E (0.48) ALDH1A1KDM4EPAOXGAADNM1
SCHEMBL8012770 0.82 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097126-B2 Aqueous composition and use thereof for paper production BASF SE (DE) 2012-01-17 US disclosed
US-20060037725-A1 Aqueous composition and use thereof for paper production BASF AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
US-20060024262-A1 Aqueous composition and use thereof for paper production BASF AKTIENGESELLSCHAFT (DE) 2006-02-02 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 (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-20060024262-A1 Aqueous composition and use thereof for paper production CHMP4B, AQP1, IL17A ZDHHC20 3925/4885ZDHHC2 4320/4885ALDH1A1 3860/4885

“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.