SCHEMBL6777832

SCHEMBL6777832

CC=C(CBr)OC(=O)OC(=CC)CBr

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
SOAT1 P35610 1/20 0.31

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
SCHEMBL983669 0.78 SOAT1 (0.39) ALDH1A1TSHRSOAT1
SCHEMBL14775418 0.78 SOAT1 (0.39) ALDH1A1TSHRSOAT1
Bicarbonate SCHEMBL11352164 0.72 TSHR (0.36) TRPA1ALDH1A1TSHR
SCHEMBL21003986 0.69
SCHEMBL14347519 0.67 SOAT1 (0.35) ALDH1A1TSHRSOAT1
SCHEMBL8203398 0.65
SCHEMBL704834 0.63 SOAT1 (0.36) ALDH1A1TSHRSOAT1
SCHEMBL14775463 0.63 SOAT1 (0.36) ALDH1A1TSHRSOAT1
SCHEMBL4642254 0.62
SCHEMBL7748846 0.61 ALDH1A1 (0.35) ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 TRPA1 4426/4885ALDH1A1 1121/4885TSHR 2542/4885

“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.