SCHEMBL4940040

SCHEMBL4940040

CC(C)(C)[Si](C)(C)C(O)c1cc(Br)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
BACE1 P56817 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
CTSD P07339 1/20 0.31
DGAT1 O75907 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL6923091 0.75 APLNR (0.38) APLNRAAK1DGAT1
SCHEMBL1145058 0.73 GABRA1 (0.39) APLNRDGAT1ADRA2AADRA2BADRA2C
SCHEMBL7268898 0.72 CYP1A2 (0.37)
SCHEMBL15332748 0.72 PDE2A (0.44) APLNRDGAT1ADRA2AADRA2BADRA2C
SCHEMBL360836 0.71 APLNR (0.40) APLNRAAK1
SCHEMBL24633625 0.70 DGAT1 (0.35) DGAT1ADRA2AADRA2BADRA2C
SCHEMBL2961939 0.70 DGAT1 (0.35) DGAT1ADRA2AADRA2BADRA2C
SCHEMBL4930943 0.70 AAK1 (0.40) APLNRAAK1DGAT1
SCHEMBL182595 0.69 PDE2A (0.47) DGAT1ADRA2AADRA2BADRA2C
SCHEMBL12261433 0.69 GABRA1 (0.46) APLNRDGAT1

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-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO APLNR 3357/4885BACE1 2807/4885AAK1 4068/4885

“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.