SCHEMBL19960577

SCHEMBL19960577

CC(C)(C)C[Si](C)(Cl)C1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A3 O75751 1/20 0.35
BCHE P06276 1/20 0.35
GPR3 P46089 2/20 0.34
HTR2A P28223 1/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 3/20 0.31
ALDH1A1 P00352 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
SCHEMBL2480013 0.74 GPR3 (0.43) ACHESLC22A2SLC22A3BCHEGPR3
SCHEMBL29596197 0.74 GPR3 (0.43) ACHESLC22A2SLC22A3BCHEGPR3
SCHEMBL7048563 0.74 GPR3 (0.43) ACHESLC22A2SLC22A3BCHEGPR3
SCHEMBL7056977 0.74 GPR3 (0.43) ACHESLC22A2SLC22A3BCHEGPR3
SCHEMBL7627897 0.74 ACHE (0.34) ACHESLC22A2SLC22A3BCHEGPR3
SCHEMBL19960583 0.73
SCHEMBL19960575 0.72
SCHEMBL17697954 0.71 ACHE (0.32) ACHEBCHECHRM2HTR1AADRA2A
SCHEMBL6672398 0.71 GPR3 (0.40) ACHESLC22A2SLC22A3BCHEGPR3
SCHEMBL19960587 0.70 HTR6 (0.33) HTR2ACHRM2CHRM1SLC6A2ADRA1A

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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180072822-A1 METALLOCENE COMPOUND LG CHEM, LTD. (KR) 2018-03-15 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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME PCBP1, SOD1, PCLAF ACHE 2516/4885SLC22A2 4658/4885SLC22A3 4751/4885
US-20180072822-A1 METALLOCENE COMPOUND SOD1, PCNA, OR10J3 ACHE 1937/4885SLC22A2 3567/4885SLC22A3 3817/4885

“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.