SCHEMBL7582393

SCHEMBL7582393

C1=CCC(C2(C3c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc43)CCCCCC2)=C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
PGR P06401 1/20 0.32
PDE7A Q13946 1/20 0.32
TDP2 O95551 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
SCHEMBL6470858 1.00 CHRM3 (0.34) CHRM3SLC6A2SLC6A4SLC6A3PGR
SCHEMBL7575276 0.99 CHRM3 (0.33) CHRM3SLC6A2SLC6A4SLC6A3TDP2
SCHEMBL7571273 0.96 NR1I2 (0.32) CHRM3TDP2
SCHEMBL7573529 0.94 TDP2 (0.32) TDP2
SCHEMBL6469961 0.83 CHRM3 (0.34) CHRM3SLC6A4SLC6A3
SCHEMBL8168093 0.81 SLC6A4 (0.34) CHRM3SLC6A4SLC6A3
SCHEMBL7940023 0.80
SCHEMBL6470486 0.79 CHRM3 (0.30) CHRM3
SCHEMBL7575254 0.79 CHRM3 (0.30) CHRM3
SCHEMBL6469988 0.79 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1767/4885SLC6A2 4854/4885SLC6A4 4204/4885

“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.