SCHEMBL19730177

SCHEMBL19730177

CC(C)(C)[Si](OC[C@H]1CC=CC[C@@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.35
SMYD2 Q9NRG4 2/20 0.34
HTT P42858 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
SCN9A Q15858 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL30159081 0.90 TAAR1 (0.37) TAAR1TSHRSMYD2HTTCYP3A4
SCHEMBL19714856 0.86 SCN9A (0.37) TAAR1TSHRSMYD2HTTCYP3A4
SCHEMBL19714829 0.85 TAAR1 (0.34) TAAR1TSHRSMYD2LMNAPOLB
SCHEMBL19714898 0.85 SMYD2 (0.37) TAAR1TSHRSMYD2HTTCYP3A4
SCHEMBL19714910 0.85 TAAR1 (0.34) TAAR1TSHRSMYD2HTTCYP3A4
SCHEMBL19714873 0.83 SMYD2 (0.36) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL18170205 0.80 NT5E (0.39) TAAR1TSHRSMYD2LMNAHRH4
SCHEMBL19714839 0.79 SMYD2 (0.38) TSHRSMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL10236926 0.78 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL25263191 0.78 SMYD2 (0.37) TAAR1SMYD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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 (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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 TAAR1 1488/4885TSHR 2071/4885SMYD2 3074/4885

“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.