SCHEMBL6804798

SCHEMBL6804798

CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccc(O)cc1)CC1(c2c[nH]cn2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.40
SOAT1 P35610 3/20 0.39
SOAT2 O75908 2/20 0.39
ACAT1 P24752 1/20 0.39
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL6186309 0.86 NMBR (0.51) NMBRSOAT1SOAT2ACAT1
SCHEMBL6184387 0.86 SOAT1 (0.38) NMBRSOAT1SOAT2ACAT1UBE2M
SCHEMBL6799438 0.83 NMBR (0.39) NMBRSOAT1SOAT2ACAT1
SCHEMBL6184255 0.82 SOAT1 (0.42) NMBRSOAT1SOAT2ACAT1EGFR
SCHEMBL6182575 0.82 SOAT1 (0.42) NMBRSOAT1SOAT2ACAT1EGFR
SCHEMBL6184564 0.80 SOAT1 (0.41) NMBRSOAT1SOAT2ACAT1EGFR
SCHEMBL6202938 0.80 SOAT1 (0.40) NMBRSOAT1SOAT2ACAT1EGFR
SCHEMBL6183730 0.79 SOAT1 (0.42) NMBRSOAT1SOAT2ACAT1EGFR
SCHEMBL6803816 0.79 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL6183404 0.79 LPAR1 (0.42) NMBRSOAT1SOAT2ACAT1UBE2M

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 NMBR 211/4885SOAT1 3334/4885SOAT2 3379/4885

“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.