SCHEMBL6469961

SCHEMBL6469961

C1=CCC(C2(C3c4ccccc4-c4ccccc43)CCCCC2)=C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC22A2 O15244 1/20 0.31
SLC22A3 O75751 1/20 0.31
CHRNA7 P36544 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL8168093 0.98 SLC6A4 (0.34) CHRM3SLC6A4SLC6A3SLC22A2SLC22A3
SCHEMBL8775944 0.92 SLC6A4 (0.36) SLC6A4SLC6A3SLC22A2SLC22A3GPR3
SCHEMBL8776108 0.83 SLC6A4 (0.40) CHRM3SLC6A4SLC6A3GPR3
SCHEMBL7582393 0.83 CHRM3 (0.34) CHRM3SLC6A4SLC6A3
SCHEMBL6470858 0.83 CHRM3 (0.34) CHRM3SLC6A4SLC6A3
SCHEMBL8501697 0.82 SLC6A4 (0.33) SLC6A4SLC6A3GPR3
SCHEMBL7575276 0.81 CHRM3 (0.33) CHRM3SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7940440 0.79 SLC6A4 (0.32) CHRM3SLC6A4SLC6A3CYP2D6
SCHEMBL6469988 0.78 CHRM3 (0.30) CHRM3
SCHEMBL7575254 0.78 CHRM3 (0.30) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955305-B1 Metallocene compound, and process for preparing polyolefin by using it MITSUI CHEMICALS INC (JP) 2005-10-26 EP disclosed
US-20020019504-A1 Stereospecific; low molecular weight MITSUI CHEMICALS, INC. (JP) 2002-02-14 US disclosed
US-6342568-B1 ADDITION POLYMERIZATION OF HIGHLYS STEREOSPECIFIC AND LOW MOLECULAR WEIGHT POLYOLEFINS USING CATALYST COMPRISING CYCLOPENTADIENYL-SUBSTITUTED FLUORENE COMPOUND COMPLEXED WITH GROUP IV METAL MITSUI CHEMICALS, INC. (JP) 2002-01-29 US disclosed
EP-0955305-A1 Metallocene compound, and process for preparing polyolefin by using it Mitsui Chemicals, Inc. (JP) 1999-11-10 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 (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-20020019504-A1 Stereospecific; low molecular weight RPLP1, RPS4Y1, POLA1 CHRM3 1767/4885SLC6A4 4204/4885SLC6A3 4787/4885

“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.