SCHEMBL5953469

SCHEMBL5953469

CC(C)C1=Cc2c(cccc2C2CCCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PTPN1 P18031 2/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
CDC25B P30305 1/20 0.33
HTR2A P28223 1/20 0.33
PTGS2 P35354 1/20 0.32
PRCP P42785 1/20 0.32
SCN9A Q15858 1/20 0.31
CEL P19835 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL5953554 0.81 HTR1A (0.41) HTR1AHTR7PTGS2PRCPCEL
SCHEMBL5953567 0.78 PSMB5 (0.35) PTGDR2
SCHEMBL5954147 0.78
SCHEMBL5953649 0.76 HTR1A (0.38) HTR1AHTR7HTR2APTGS2PRCP
SCHEMBL5953561 0.75 MEN1 (0.34) CEL
SCHEMBL5954049 0.72 GABRA1 (0.39)
SCHEMBL5361006 0.70 CYP2D6 (0.33) ADRA2AADRA2BADRA2C
SCHEMBL5009063 0.70
SCHEMBL4652090 0.69 HTR1A (0.31) HTR1AHTR7
SCHEMBL31197637 0.67 PRCP (0.35) HTR1AHTR7ADRA2AADRA2BADRA2C

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-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO 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-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 HTR1A 2748/4885HTR7 2787/4885ADRA2A 2316/4885

“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.