SCHEMBL4212786

SCHEMBL4212786

CC(Br)C(CC1CO1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL536714 0.83 TDP1 (0.36) ALDH1A1
SCHEMBL11300378 0.75
SCHEMBL8846758 0.75
SCHEMBL15947892 0.75
Glycidol SCHEMBL1005345 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27310323 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2300986 0.72
SCHEMBL9549622 0.72 TDP1 (0.41)
SCHEMBL11592133 0.72
SCHEMBL27982754 0.70 ALDH1A1 (0.40) ALDH1A1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048284-A1 THERAPEUTIC COMPOUNDS MELTZER PETER C 2009-02-19 US disclosed
US-7439264-B2 Therapeutic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-21 US disclosed
EP-1478356-A4 THERAPEUTIC COMPOUNDS HARVARD COLLEGE (US) 2005-03-16 EP disclosed
EP-1478356-A2 THERAPEUTIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-11-24 EP disclosed
US-20030232827-A1 Therapeutic compounds WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-12-18 US disclosed
WO-2003066004-A2 THERAPEUTIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-08-14 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 (2 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-20030232827-A1 Therapeutic compounds SLC10A1, SLC6A2, SLC47A1 ALDH1A1 1419/4885SLC1A3 37/4885SLC1A2 16/4885
US-20090048284-A1 THERAPEUTIC COMPOUNDS SLC10A1, SLC6A2, SLC47A1 ALDH1A1 1419/4885SLC1A3 37/4885SLC1A2 16/4885

“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.