SCHEMBL20885000

SCHEMBL20885000

CC12C(=O)OC(=O)C1(I)C1CCC2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.71
TP53 P04637 4/20 0.71
CYP3A4 P08684 3/20 0.71
HIF1A Q16665 3/20 0.71
LMNA P02545 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
CYP1A2 P05177 2/20 0.71
NFKB1 P19838 2/20 0.71
THPO P40225 2/20 0.71
GMNN O75496 2/20 0.71
MTOR P42345 2/20 0.71
BLM P54132 2/20 0.71
PMP22 Q01453 2/20 0.71
PPM1B O75688 1/20 0.71
PTPN1 P18031 1/20 0.71
PPP1CC P36873 1/20 0.71
TFPI2 P48307 1/20 0.71
PPP5C P53041 1/20 0.71

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
Cantharidin SCHEMBL152261 0.84 MAPK1 (1.00) MAPK1TP53CYP3A4HIF1ALMNA
Cantharidin SCHEMBL14120808 0.84 MAPK1 (1.00) MAPK1TP53CYP3A4HIF1ALMNA
Cantharidin SCHEMBL1805181 0.84 MAPK1 (1.00) MAPK1TP53CYP3A4HIF1ALMNA
Cantharidin SCHEMBL152262 0.84 MAPK1 (1.00) MAPK1TP53CYP3A4HIF1ALMNA
SCHEMBL24129015 0.71 MAPK1 (0.67) MAPK1TP53CYP3A4HIF1ALMNA
SCHEMBL19619602 0.71 MAPK1 (0.67) MAPK1TP53CYP3A4HIF1ALMNA
SCHEMBL22369623 0.69 TP53 (0.44) MAPK1TP53CYP3A4HIF1ALMNA
SCHEMBL20618517 0.69 MAPK1 (0.62) MAPK1TP53CYP3A4HIF1ALMNA
SCHEMBL23080410 0.66 TP53 (0.57) MAPK1TP53CYP3A4HIF1ALMNA
SCHEMBL3496407 0.66 MAPK1 (0.59) MAPK1TP53CYP3A4HIF1ALMNA

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
EP-3692044-B1 SYNTHESIS OF CANTHARIDIN VERRICA PHARMACEUTICALS INC (US) 2024-01-24 EP disclosed
US-20200270269-A1 SYNTHESIS OF CANTHARIDIN VERRICA PHARMACEUTICALS, INC. (US) 2020-08-27 US disclosed
WO-2019070980-A2 SYNTHESIS OF CANTHARIDIN VERRICA PHARMACEUTICALS, INC. (US) 2019-04-11 WO 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-20200270269-A1 SYNTHESIS OF CANTHARIDIN TYR, NQO1, CBR3 MAPK1 1224/4885TP53 3593/4885CYP3A4 141/4885

“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.