SCHEMBL6062222

SCHEMBL6062222

CCC1=CC([Zr](Cl)(Cl)C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
THPO P40225 1/20 0.31
OPRK1 P41145 1/20 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
SCHEMBL3684603 0.85
Propane SCHEMBL22261431 0.83 HTR2A (0.37) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL4445268 0.80 HTR2A (0.35) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL137961 0.80 HTR2A (0.38) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL6062011 0.80 HTR6 (0.35) HTR6
SCHEMBL3688044 0.80
SCHEMBL7941885 0.78 HTR2A (0.36) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL4453772 0.77 HTR2A (0.33) KDM4ELMNATP53CHRM2CYP3A4
Ethylene SCHEMBL2231954 0.77 HTR2A (0.35) HTR2AHTR6
SCHEMBL795334 0.74 HTR6 (0.32) CYP2D6HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142147-A1 Catalysts compositions for the polymerization and copolymerization of alpha-olefins REPSOL QUIMICA, S.A. (ES) 2006-06-29 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 (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-20060142147-A1 Catalysts compositions for the polymerization and copolymerization of alpha-olefins B2M, OPRM1, POLM KDM4E 4626/4885LMNA 3213/4885TP53 2341/4885

“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.