SCHEMBL13083299

SCHEMBL13083299

C=Cc1cccc(C(C)C)c1NC(=O)NCC1(Sc2ccccc2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.45
SOAT2 O75908 1/20 0.45
ACAT1 P24752 1/20 0.45
NMBR P28336 1/20 0.38

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
SCHEMBL3410552 0.90 SOAT1 (0.53) SOAT1SOAT2ACAT1
SCHEMBL13083300 0.88 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL13083184 0.87 SOAT1 (0.41) SOAT1SOAT2ACAT1NMBR
SCHEMBL13083298 0.86 SOAT1 (0.42) SOAT1SOAT2ACAT1
SCHEMBL3412551 0.82 SOAT1 (0.52) SOAT1SOAT2ACAT1
SCHEMBL3404765 0.77 SOAT1 (0.53) SOAT1SOAT2ACAT1
SCHEMBL3414055 0.77 SOAT1 (0.48) SOAT1SOAT2ACAT1NMBR
SCHEMBL13083283 0.77 SOAT1 (0.41) SOAT1SOAT2ACAT1NMBR
SCHEMBL3413997 0.75 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9641246 0.71 SOAT1 (0.76) SOAT1SOAT2ACAT1NMBR

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
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US disclosed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 SOAT1 1/4885SOAT2 2/4885ACAT1 7/4885

“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.