SCHEMBL21044862

SCHEMBL21044862

CCCCC=CO[Si](CC)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
FAAH O00519 3/20 0.32
LPAR2 Q9HBW0 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR1 Q92633 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CNR1 P21554 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
SCHEMBL21044861 1.00 TSHR (0.33) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL21044842 0.87 TSHR (0.41) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL21044843 0.87 TSHR (0.41) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL10615526 0.79 TSHR (0.35) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL10615531 0.79 TSHR (0.35) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL4029434 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL28228064 0.74 LPAR3 (0.32) TSHRALDH1A1FAAHLPAR2LPAR3
SCHEMBL21044841 0.73 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL21044839 0.73 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL5439418 0.72 TSHR (0.39) TSHRALDH1A1FAAHLPAR2LPAR3

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-10442821-B2 Method for releasing unsaturated aldehyde or ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-10-15 US disclosed
US-20190185494-A1 METHOD FOR RELEASING UNSATURATED ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-06-20 US disclosed
EP-3492570-A1 METHOD FOR RELEASING UNSATURATED ALDEHYDE OR KETONE Takasago International Corporation (JP) 2019-06-05 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 (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-20190185494-A1 METHOD FOR RELEASING UNSATURATED ALDEHYDE OR KETONE FAAH2, ALDH1A1, FASN TSHR 2871/4885ALDH1A1 2/4885FAAH 6/4885
US-10442821-B2 Method for releasing unsaturated aldehyde or ketone FAAH2, ALDH1A1, FASN TSHR 2871/4885ALDH1A1 2/4885FAAH 6/4885

“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.