SCHEMBL2679583

SCHEMBL2679583

CCC(C)CC(=O)Oc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
FFAR1 O14842 1/20 0.37
MAPT P10636 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.35
CYP2C19 P33261 2/20 0.35
PLA2G1B P04054 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27622460 0.85 ALDH1A1 (0.40) ELANERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1756472 0.84 MMP1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1756479 0.84 RAB9A (0.44) ELANERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1756467 0.84 RAB9A (0.44) ELANERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3421330 0.83 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL525049 0.80 MMP1 (0.45) ELANERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6715200 0.79 BCHE (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL27610314 0.78 MMP1 (0.44) ELANERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27852212 0.78 MMP1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL8327418 0.77 KMT2A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457898-A1 FULLERENE DERIVATIVE Sumitomo Chemical Company Limited (JP) 2012-05-30 EP disclosed
US-20120111411-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2012-05-10 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-20120111411-A1 FULLERENE DERIVATIVE HCN2, KCNN2, TMEM109 ELANE 2778/4885RAB9A 2284/4885NPC1 769/4885

“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.