SCHEMBL20067041

SCHEMBL20067041

CCCOCCOCCOCCOCCCO

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 2/20 0.58
THRB P10828 1/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL22048371 1.00 TSHR (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL1770062 1.00 TSHR (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL12937820 0.97 TSHR (0.56) TSHRMEN1KMT2AHTTTHRB
SCHEMBL223572 0.97
SCHEMBL4391161 0.94 TSHR (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL455523 0.94 TSHR (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL19412778 0.94 TSHR (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL27304416 0.94
SCHEMBL5176669 0.94 TSHR (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL4390855 0.92 MEN1 (0.62) TSHRMEN1KMT2AHTTTHRB

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 TSHR 3831/4885MEN1 4232/4885KMT2A 1311/4885

“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.