SCHEMBL19640205

SCHEMBL19640205

Br[Mg]Br.[c]1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.41
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20662 0.91
SCHEMBL27423032 0.89 ABCG2 (0.46) ABCG2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL27765909 0.88 ITGB2 (0.41)
SCHEMBL20741878 0.78 ABCG2 (0.33) ABCG2
SCHEMBL20030 0.78 ITGB2 (0.48) ABCG2ALDH1A1
SCHEMBL27343450 0.76 ITGB2 (0.46)
SCHEMBL4986425 0.74
SCHEMBL106413 0.74 ITGB2 (0.39) ALDH1A1
SCHEMBL20741840 0.73 ITGB2 (0.34) ABCG2
SCHEMBL11748070 0.72 LMNA (0.54)

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-10774108-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20170342102-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2017-11-30 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 (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-10774108-B2 Compositions and methods for treating CNS disorders GRIN2B, ADRA2B, ADRA1B ABCG2 1787/4885CYP3A4 370/4885ALDH1A1 578/4885
US-20170342102-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B ABCG2 1787/4885CYP3A4 370/4885ALDH1A1 578/4885

“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.