SCHEMBL1453085

SCHEMBL1453085

CC1=Cc2c(cc3c(c2Br)OCO3)C1CC1C(C)=Cc2c1cc1c(c2Br)OCO1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 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
SCHEMBL1452081 0.91 ALDH1A1 (0.32) ALDH1A1CYP3A4OPRK1HTTRECQL
SCHEMBL1452470 0.89 MGAM (0.30) GAA
SCHEMBL1452053 0.89 POLB (0.32) HTTGAA
SCHEMBL1453182 0.83 HTR6 (0.30) HTT
SCHEMBL1452002 0.81 POLB (0.32) HTTGAA
SCHEMBL1451975 0.81 MGAM (0.30) GAA
SCHEMBL1451886 0.81
SCHEMBL1452674 0.80 OPRK1 (0.32) OPRK1HTTRECQL
SCHEMBL1452036 0.80
SCHEMBL1452519 0.79 OPRK1 (0.31) ALDH1A1OPRK1HTTRECQLGAA

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 ALDH1A1 2182/4885CYP3A4 885/4885OPRK1 2407/4885

“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.