SCHEMBL6469960

SCHEMBL6469960

C1=CCC(C2(c3cccc4c3Cc3ccccc3-4)CCCCC2)=C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PGR P06401 1/20 0.32
CHRM3 P20309 4/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL8998590 0.97 PNMT (0.35) PNMTNPC1RAB9APGRHTR2A
Hydrochloric Acid SCHEMBL6557621 0.96 PNMT (0.35) PNMTNPC1RAB9APGRHTR2A
SCHEMBL3373312 0.96 PNMT (0.36) PNMTNPC1RAB9APGRHTR2A
SCHEMBL8775938 0.93 PNMT (0.38) PNMTNPC1RAB9APGRHTR7
SCHEMBL8776111 0.85 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
SCHEMBL7582386 0.76 PGR (0.40) PGR
SCHEMBL6470854 0.76 PGR (0.40) PGR
SCHEMBL7575272 0.74 PGR (0.38) PGR
SCHEMBL7572521 0.72
SCHEMBL7571267 0.72 TDP2 (0.37) PGR

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 PNMT 2331/4885NPC1 3457/4885RAB9A 4326/4885

“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.