SCHEMBL16019089

SCHEMBL16019089

C=C(N(C)CCCC)N(C)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH2 P05091 1/20 0.36
EPHX2 P34913 4/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
CA2 P00918 1/20 0.33
GBA1 P04062 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL16019091 0.81
SCHEMBL23823928 0.79
SCHEMBL20432161 0.77 DNM1 (0.33) DNM1CA12CA1CA9ALDH1A1
SCHEMBL25676616 0.77 EPHX2 (0.36) DNM1CA12CA1CA9ALDH1A1
SCHEMBL22384450 0.76
SCHEMBL18887686 0.75 DNM1 (0.32) DNM1CA12CA1CA9ALDH1A1
SCHEMBL12512560 0.75 DNM1 (0.32) DNM1CA12CA1CA9ALDH1A1
SCHEMBL10664150 0.74 CA12 (0.48) DNM1CA12CA1CA9ALDH1A1
SCHEMBL498120 0.74
SCHEMBL28419117 0.74 DNM1 (0.46) DNM1CA12CA1CA9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303201-B2 Method of inhibiting the formation of gas hydrates using amidines and guanidines ECO INHIBITORS AS (NO) 2016-04-05 US disclosed
US-20140256599-A1 METHOD OF INHIBITING THE FORMATION OF GAS HYDRATES USING AMIDINES AND GUANIDINES ECO INHIBITORS AS (NO) 2014-09-11 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-20140256599-A1 METHOD OF INHIBITING THE FORMATION OF GAS HYDRATES USING AMIDINES AND GUANIDINES MAGI3, GEMIN5, GCG DNM1 310/4885CA12 1960/4885CA1 298/4885

“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.