SCHEMBL5820544

SCHEMBL5820544

BrCCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.50
HRH1 P35367 5/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
SLC6A2 P23975 2/20 0.38
ADRA1A P35348 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL2786275 0.98 HTR2A (0.48) HTR2AHRH1CA1CA2CHRM2
SCHEMBL14759063 0.93 HTR2A (0.52) HTR2AHRH1CA1CA2CHRM2
SCHEMBL31026220 0.93 HTR2A (0.52) HTR2AHRH1CA1CA2CHRM2
SCHEMBL17022715 0.89 HTR2A (0.61) HTR2AHRH1CA1CA2CHRM2
SCHEMBL5355395 0.86 HTR2A (0.54) HTR2AHRH1CA1CA2CHRM2
SCHEMBL29617353 0.86 HTR2A (0.54) HTR2AHRH1CA1CA2CHRM2
SCHEMBL7574105 0.84 HTR2A (0.61) HTR2AHRH1CA1CA2CHRM2
SCHEMBL27489448 0.83 HTR2A (0.41) HTR2AACHEBCHE
SCHEMBL17767357 0.83 HTR2A (0.37) HTR2AHRH1CA1CA2CHRM2
SCHEMBL5353138 0.81 HTR2A (0.64) HTR2AHRH1CA1CA2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137818-A1 CATALYST COMPONENTS AND THEIR USE IN THE POLYMERIZATION OF OLEFINS FINA TECHNOLOGY, INC. (US) 2006-12-28 WO disclosed
US-20050148460-A1 Catalyst components and their use in the polymerization of olefins FINA TECHNOLOGY, INC. 2005-07-07 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-20050148460-A1 Catalyst components and their use in the polymerization of olefins NPY5R, SSTR5, FGR HTR2A 621/4885HRH1 929/4885CA1 4098/4885

“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.