SCHEMBL6803816

SCHEMBL6803816

CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccc(O)cc1)CC1(c2cccc(N(C)C)c2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.49
SOAT2 O75908 2/20 0.49
ACAT1 P24752 1/20 0.49
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BACE1 P56817 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL6807653 0.90 SOAT1 (0.43) SOAT1SOAT2ACAT1TRPV1
SCHEMBL6183730 0.83 SOAT1 (0.42) SOAT1SOAT2ACAT1TRPV1
SCHEMBL6182575 0.83 SOAT1 (0.42) SOAT1SOAT2ACAT1TRPV1
SCHEMBL6184255 0.83 SOAT1 (0.42) SOAT1SOAT2ACAT1TRPV1KDM4E
SCHEMBL6184564 0.83 SOAT1 (0.41) SOAT1SOAT2ACAT1TRPV1
SCHEMBL9765050 0.82 SOAT1 (0.51) SOAT1SOAT2ACAT1
SCHEMBL6202938 0.81 SOAT1 (0.40) SOAT1SOAT2ACAT1TRPV1
SCHEMBL6186309 0.80 NMBR (0.51) SOAT1SOAT2ACAT1
SCHEMBL6183404 0.79 LPAR1 (0.42) SOAT1SOAT2ACAT1HDAC1HDAC6
SCHEMBL6804798 0.79 NMBR (0.40) SOAT1SOAT2ACAT1

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 SOAT1 3334/4885SOAT2 3379/4885ACAT1 4082/4885

“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.