SCHEMBL20077542

SCHEMBL20077542

COC(=O)CCN(CCOCCNC(=O)CCN(CCOCCS(Cl)(Cl)Cl)CCC(=O)NCCOCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC9A3 P48764 5/20 0.33
TSHR P16473 2/20 0.32
CA12 O43570 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
RECQL P46063 1/20 0.30
CHRM2 P08172 1/20 0.30

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
SCHEMBL20067044 0.85 MEN1 (0.37) MEN1KMT2ASLC9A3TSHRCA12
SCHEMBL20067051 0.84 MEN1 (0.36) MEN1KMT2ASLC9A3TSHRCA12
SCHEMBL20067045 0.83 MEN1 (0.35) MEN1KMT2ASLC9A3TSHRCA12
SCHEMBL20077463 0.75 KMT2A (0.48) MEN1KMT2ATSHRCA12CA14
SCHEMBL12423819 0.74 KMT2A (0.47) MEN1KMT2ATSHRCA12CA14
SCHEMBL17433061 0.72 MEN1 (0.40) MEN1KMT2ATSHR
SCHEMBL20067042 0.72 MEN1 (0.42) MEN1KMT2ATSHRCA12CA14
SCHEMBL22414255 0.72 SMN1; SMN2 (0.37) MEN1KMT2ATSHRCA12CA14
SCHEMBL13232030 0.71 TSHR (0.44) MEN1KMT2ATSHRCA12CA14
SCHEMBL12847592 0.71 KMT2A (0.47) MEN1KMT2ATSHRCA12CA14

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-20200287239-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2020-09-10 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MEN1 4232/4885KMT2A 1311/4885SLC9A3 736/4885
US-20200287239-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 MEN1 4232/4885KMT2A 1311/4885SLC9A3 736/4885
US-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 MEN1 4232/4885KMT2A 1311/4885SLC9A3 736/4885

“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.