SCHEMBL39719

SCHEMBL39719

BrCCCCCCN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ADH1A P07327 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
SCHEMBL10171075 0.89 SIGMAR1 (0.41) THRATHRBSIGMAR1ADH1A
SCHEMBL10170022 0.89 SIGMAR1 (0.41) THRATHRBSIGMAR1ADH1A
SCHEMBL10171077 0.89 SIGMAR1 (0.41) THRATHRBSIGMAR1ADH1A
SCHEMBL10170018 0.86 SIGMAR1 (0.38) THRATHRBSIGMAR1ADH1A
SCHEMBL25399165 0.78 THRA (0.49) THRATHRBSIGMAR1ADH1A
SCHEMBL15285544 0.78 EPHX1 (0.37) THRATHRBSIGMAR1ADH1A
SCHEMBL39346 0.78 THRA (0.49) THRATHRBSIGMAR1ADH1A
SCHEMBL11351005 0.78 THRA (0.49) THRATHRBSIGMAR1ADH1A
SCHEMBL39006 0.78 THRA (0.49) THRATHRBSIGMAR1ADH1A
SCHEMBL11344593 0.78 THRA (0.49) THRATHRBSIGMAR1ADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079824-B2 Method for the synthesis of an amino acetal NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-07-14 US disclosed
US-20130165682-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 US disclosed
WO-2012005693-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-12 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 (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-20130165682-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL AOX1, DAO, ALDH7A1 THRA 2508/4885THRB 3815/4885SIGMAR1 1259/4885

“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.