SCHEMBL1964524

SCHEMBL1964524

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.36
THPO P40225 1/20 0.36
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
NFKB1 P19838 1/20 0.35
TRPA1 O75762 1/20 0.35
CA1 P00915 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4650341 0.87 CYP2C19 (0.69) CYP2C19LMNAALDH1A1THRBRECQL
SCHEMBL1884586 0.82
SCHEMBL11459165 0.82
SCHEMBL647006 0.78
SCHEMBL4969854 0.75
SCHEMBL18654173 0.75
SCHEMBL2073732 0.75
SCHEMBL215646 0.75
SCHEMBL1413252 0.75 CYP2C19 (0.45) CYP2C19ALDH1A1THRBRECQLTSHR
SCHEMBL1713354 0.75 ALDH1A1 (0.33) CYP2C19ALDH1A1

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-20110144137-A1 METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE YALE UNIVERSITY (US) 2011-06-16 US disclosed
EP-2143444-A1 Compositions for inhibition of anglogenesis The Children's Medical Center Corporation (US) 2010-01-13 EP 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-20110144137-A1 METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE TRPA1, HRH2, HRH4 CYP2C19 3309/4885LMNA 2960/4885ALDH1A1 2090/4885

“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.