SCHEMBL2698028

SCHEMBL2698028

COC(CNC1CCCCCCCCCCC1)OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL1246156 1.00 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1246086 1.00 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1246790 0.98 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL27036944 0.89 MEN1 (0.42) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL3552579 0.81 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL9909550 0.81 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL12801234 0.81 MEN1 (0.38) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL934315 0.79 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775092 0.77 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775213 0.77 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 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-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 KDM4E 4538/4885ANPEP 3358/4885ERAP2 4844/4885

“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.