SCHEMBL1667786

SCHEMBL1667786

CCCC(=O)Oc1ccc(C=O)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.46
ALDH1A3 P47895 2/20 0.46
ALDH3A1 P30838 1/20 0.46
HPGD P15428 9/20 0.43
KMT2A Q03164 1/20 0.43
TOP2A P11388 1/20 0.41
AOX1 Q06278 1/20 0.41

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
SCHEMBL1665651 0.82 ALOX15 (0.47) ALOX15ALDH1A1HPGDKMT2ATOP2A
SCHEMBL891609 0.82 ALDH1A1 (0.60) ALDH1A1HPGDTOP2AAOX1
SCHEMBL1665126 0.80 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDKMT2ATOP2A
SCHEMBL14782232 0.80 ALDH1A1 (0.46) ALDH1A1ALDH1A3ALDH3A1HPGDAOX1
SCHEMBL9225446 0.75 TOP2A (0.64) ALOX15ALDH1A1KMT2ATOP2A
SCHEMBL177168 0.75 FDPS (0.54) ALDH1A1ALDH1A3ALDH3A1HPGDKMT2A
SCHEMBL493460 0.74 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH3A1HPGDAOX1
SCHEMBL1665645 0.74 KMT2A (0.74) ALDH1A1ALDH1A3HPGDKMT2A
SCHEMBL7443903 0.74 KMT2A (0.51) ALOX15ALDH1A1HPGDKMT2A
SCHEMBL891219 0.74 TOP2A (0.66) ALDH1A1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 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 (3 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALOX15 1639/4885ALDH1A1 2404/4885ALDH1A3 3800/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALOX15 1639/4885ALDH1A1 2404/4885ALDH1A3 3800/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALOX15 1639/4885ALDH1A1 2404/4885ALDH1A3 3800/4885

“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.