SCHEMBL20067053

SCHEMBL20067053

COC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CC[Si](Cl)(Cl)Cl)CCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 4/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
DNM1 Q05193 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20067054 0.89 KMT2A (0.48) MEN1KMT2ATSHRRECQLCA12
SCHEMBL12423819 0.87 KMT2A (0.47) MEN1KMT2ATSHRRECQLCYP1A2
SCHEMBL20067042 0.84 MEN1 (0.42) MEN1KMT2ATSHRRECQLCYP1A2
SCHEMBL20067046 0.83 CASP2 (0.37) MEN1KMT2ATSHRRECQLDNM1
SCHEMBL18174866 0.83 KMT2A (0.43) MEN1KMT2ATSHRRECQLCYP1A2
SCHEMBL19035553 0.83 CYP1A2 (0.44) MEN1KMT2ATSHRRECQLCYP1A2
SCHEMBL20067045 0.82 MEN1 (0.35) MEN1KMT2ATSHRRECQLCA12
SCHEMBL12461822 0.81 RECQL (0.52) MEN1KMT2ATSHRRECQLDNM1
SCHEMBL22414250 0.81 TSHR (0.40) MEN1KMT2ATSHRRECQLCYP1A2
SCHEMBL24727476 0.78 TSHR (0.50) MEN1KMT2ATSHRRECQLCYP1A2

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-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-04-19 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-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 MEN1 4232/4885KMT2A 1311/4885TSHR 3831/4885

“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.