SCHEMBL3934493

SCHEMBL3934493

C=[C]C(=O)N(CCCCCC)CCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.45
MGLL Q99685 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
DNM1 Q05193 3/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
TSHR P16473 3/20 0.37
GPR84 Q9NQS5 3/20 0.37
HDAC11 Q96DB2 3/20 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
SCHEMBL3930936 0.98 ZDHHC20 (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL3932477 0.91 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL7687995 0.78 CA12 (0.45) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6163862 0.76 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6162958 0.76 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL15766566 0.76 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6131093 0.76 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6164843 0.76 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6162968 0.76 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL25278271 0.75 CA12 (0.54) ZDHHC20ZDHHC2CA12CA1CA9

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-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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 (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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA ZDHHC20 2985/4885ZDHHC2 3193/4885CA12 4671/4885

“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.