SCHEMBL6803071

SCHEMBL6803071

CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)CC1(c2ccccc2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
SOAT1 P35610 5/20 0.42
SOAT2 O75908 3/20 0.42
ACAT1 P24752 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ICMT O60725 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9765050 0.91 SOAT1 (0.51) UBE2MDCUN1D1SOAT1SOAT2ACAT1
SCHEMBL6808919 0.87 SOAT1 (0.50) UBE2MDCUN1D1SOAT1SOAT2ACAT1
SCHEMBL11143056 0.80 ALDH1A1 (0.58) UBE2MDCUN1D1SOAT1SOAT2ALDH1A1
SCHEMBL6803622 0.78 NMBR (0.45) UBE2MDCUN1D1SOAT1SOAT2ACAT1
SCHEMBL9680743 0.78 SOAT1 (0.51) SOAT1SOAT2ACAT1LMNAKMT2A
SCHEMBL13328402 0.78 SOAT1 (0.63) SOAT1SOAT2ACAT1ALDH1A1TP53
SCHEMBL9765058 0.77 TP53 (0.46) ALDH1A1LMNAKMT2ANPSR1TP53
SCHEMBL6807653 0.76 SOAT1 (0.43) UBE2MDCUN1D1SOAT1SOAT2ACAT1
SCHEMBL9765049 0.75 SOAT2 (0.48) SOAT1SOAT2ACAT1
SCHEMBL6802078 0.75 SOAT2 (0.40) UBE2MDCUN1D1SOAT1SOAT2ACAT1

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR UBE2M 3897/4885DCUN1D1 2124/4885SOAT1 3334/4885

“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.