SCHEMBL6748674

SCHEMBL6748674

COC1=C(C(C)=O)C2=C(C)Cc3c(OC)c(=O)c(OC)c4cc(OC)c5c(OC)cc(OC)c6c(c2c3c4c56)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KLK7 P49862 1/20 0.30
KLK5 Q9Y337 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL5178392 0.70 MEN1 (0.48) MEN1THRBKMT2ATDP1ALDH1A1
SCHEMBL14302231 0.67 MEN1 (0.37) MEN1THRBKMT2ATDP1
SCHEMBL29398657 0.66 MEN1 (0.47) MEN1THRBKMT2ATDP1
SCHEMBL13121633 0.66 MEN1 (0.47) MEN1THRBKMT2ATDP1
SCHEMBL14600288 0.62 MEN1 (0.49) MEN1THRBKMT2ATDP1KLK7
SCHEMBL14302232 0.62 THRB (0.54) MEN1THRBKMT2ATDP1ALDH1A1
SCHEMBL14600289 0.59 MEN1 (0.44) MEN1THRBKMT2ATDP1CYP3A4
SCHEMBL13937289 0.58 MEN1 (0.39) MEN1THRBKMT2ATDP1
SCHEMBL10498389 0.53 CYP3A4 (0.55) ALDH1A1CYP3A4
SCHEMBL2307800 0.52 PTGS2 (0.55) MEN1KMT2AALDH1A1CYP3A4

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-20040110846-A1 derivatives of perylenequinone pigments (PQPs) having both photosensitizing properties and sonosensitizing properties are used to treat diseases and other conditions by modulating the body's existing immune system, and/or any immunotherapies QUEST PHARMATECH INC. (CA) 2004-06-10 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-20040110846-A1 derivatives of perylenequinone pigments (PQPs) having both photosensitizing properties and sonosensitizing properties are used to treat diseases and other conditions by modulating the body's existing immune system, and/or any immunotherapies IL2, IFNG, LY96 MEN1 1399/4885THRB 4803/4885KMT2A 2971/4885

“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.