SCHEMBL2905804

SCHEMBL2905804

CCCC1c2[c]cccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GPR3 P46089 1/20 0.32
TDO2 P48775 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 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
SCHEMBL6303051 0.92 ACHE (0.42) HTR2AACHEBCHECHRM2HTR1A
SCHEMBL6306483 0.86 HTR2A (0.42) HTR2AACHEBCHECA1CA2
SCHEMBL1996543 0.80 HTR2A (0.54) HTR2AACHEBCHECA1CA2
SCHEMBL8612566 0.75 HTR2A (0.39) HTR2ACA1CA2
SCHEMBL27969025 0.73 HTR2A (0.40) HTR2AACHEBCHECA1CA2
SCHEMBL4634572 0.73 GPR3 (0.38) HTR2AACHEBCHEGPR3CHRM2
SCHEMBL3701444 0.72 HTR2A (0.40) HTR2AGPR3CYP1A2
SCHEMBL584138 0.72 CA1 (0.39) HTR2ACA1CA2
SCHEMBL8415215 0.71 GPR3 (0.37) HTR2AGPR3SLC22A2SLC22A3
SCHEMBL8744967 0.71 GPR3 (0.34) HTR2AGPR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901391-A System and method for producing supported catalysts 埃克森美孚化学专利公司 2022-08-12 CN disclosed
CN-112384542-A Polyethylene composition, wire and cable and method for making the same 埃克森美孚化学专利公司 2021-02-19 CN disclosed
EP-2217627-A1 HALOGEN SUBSTITUTED HETEROCYCLIC HETEROATOM CONTAINING LIGANDS-ALUMOXANE ACTIVATION OF METALLOCENES ExxonMobil Chemical Patents Inc. (US) 2010-08-18 EP disclosed
EP-2112175-A1 Activator for metallocenes comprising one or more halogen substituted heterocyclic heteroatom containing ligand coordinated to an alumoxane ExxonMobil Chemical Patents Inc. (US) 2009-10-28 EP disclosed
US-20090124486-A1 HALOGEN SUBSTITUTED HETEROCYCLIC HETEROATOM CONTAINING LIGANDS-ALUMOXANE ACTIVATION OF METALLOCENES EXXONMOBIL CHEMICAL PATENTS INC. 2009-05-14 US disclosed
WO-2009061678-A1 HALOGEN SUBSTITUTED HETEROCYCLIC HETEROATOM CONTAINING LIGANDS-ALUMOXANE ACTIVATION OF METALLOCENES EXXONMOBIL CHEMICALS PATENTS INC. (US) 2009-05-14 WO disclosed
US-6849753-B2 Process for preparation of half-vanadocene compound NICHIA CORPORATION (JP) 2005-02-01 US disclosed
EP-1312610-B1 Process for preparation of half-vanadocene compound NICHIA CORP (JP) 2004-09-08 EP disclosed
US-20030109733-A1 Process for preparation of half-vanadocene compound UBE INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
CN-1420118-A Method for preparing semi-cyclopentadienyl vanadium NICHIA KAGAKU KOGYO KK (JP) 2003-05-28 CN disclosed
EP-1312610-A1 Process for preparation of half-vanadocene compound Nichia Corporation (JP) 2003-05-21 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-20030109733-A1 Process for preparation of half-vanadocene compound CPNE4, VDAC2, VDAC1 HTR2A 911/4885ACHE 3428/4885BCHE 1427/4885

“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.