SCHEMBL20067046

SCHEMBL20067046

COC(=O)CCN(CCCCCCCCNC(=O)CCN(CCCCCCCC[Si](Cl)(Cl)Cl)CCC(=O)NCCCCCCCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAAA Q02083 1/20 0.36
DNM1 Q05193 1/20 0.35
KDM4A O75164 1/20 0.35
HIF1A Q16665 1/20 0.35
TET2 Q6N021 1/20 0.35
DOHH Q9BU89 1/20 0.35
RECQL P46063 1/20 0.35
EPHX2 P34913 4/20 0.35
FAAH O00519 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
KDM5A P29375 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20067043 0.85 FAAH (0.43) CASP2TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL22414251 0.85 FAAH (0.40) CASP2TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL20067053 0.83 MEN1 (0.40) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13232030 0.82 TSHR (0.44) CASP2TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL22414255 0.82 SMN1; SMN2 (0.37) CASP2TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL20067054 0.77 KMT2A (0.48) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20067045 0.77 MEN1 (0.35) TSHRMEN1KMT2ARECQL
SCHEMBL12461822 0.76 RECQL (0.52) CASP2TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL12423819 0.76 KMT2A (0.47) TSHRALDH1A1MEN1KMT2ADNM1
SCHEMBL24412947 0.75 CASP2 (0.67) CASP2NAAADNM1EPHX2FAAH

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-10707524-B2 Graphene compound and manufacturing method thereof, electrolyte, and power storage device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-07-07 US disclosed
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
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 (2 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-10707524-B2 Graphene compound and manufacturing method thereof, electrolyte, and power storage device ILK, GK, KCNH3 CASP2 2697/4885TSHR 3831/4885SMN1; SMN2 3197/4885
US-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 CASP2 2697/4885TSHR 3831/4885SMN1; SMN2 3197/4885

“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.