SCHEMBL45114

SCHEMBL45114

C=CCN(C=CCCCC)CC=C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 1/20 0.48
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 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
SCHEMBL15053528 1.00 TSHR (0.48) TSHRALDH1A1F7F3FAAH
SCHEMBL195771 0.77 TSHR (0.52) TSHRALDH1A1
SCHEMBL516006 0.77 TSHR (0.38) TSHRALDH1A1F7F3FAAH
SCHEMBL516005 0.77 TSHR (0.38) TSHRALDH1A1F7F3FAAH
SCHEMBL6006373 0.76 TSHR (0.41) TSHRALDH1A1F7F3FAAH
SCHEMBL29617234 0.75 TSHR (0.36) TSHRALDH1A1F7F3FAAH
SCHEMBL11861443 0.71 DNM1 (0.42) TSHRFAAHTRPV1
SCHEMBL4042668 0.71 TSHR (0.44) TSHRALDH1A1FAAH
SCHEMBL516425 0.71 TSHR (0.41) TSHRALDH1A1F7F3FAAH
SCHEMBL6432081 0.71 TSHR (0.82) TSHRALDH1A1F7F3FAAH

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 TSHR 3830/4885ALDH1A1 11/4885F7 1865/4885

“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.