SCHEMBL5953554

SCHEMBL5953554

CC1=Cc2c(cccc2C2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
PRCP P42785 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2C P28335 3/20 0.34
CEL P19835 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDPK1 O15530 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL5953469 0.81 HTR1A (0.38) HTR1AHTR7PRCPPTGS2CEL
SCHEMBL5953649 0.81 HTR1A (0.38) HTR1AHTR7PRCPPTGS2HTR2C
SCHEMBL4652090 0.79 HTR1A (0.31) HTR1AHTR7
SCHEMBL5953488 0.78 CEL (0.33) HTR1AHTR7HTR2CCEL
SCHEMBL5953865 0.75 HTR1A (0.40) HTR1AHTR7PTGS2HTR2CCEL
SCHEMBL31240954 0.73 HTR2C (0.52) HTR1AHTR7PTGS2HTR2CCEL
SCHEMBL5954073 0.72 BCHE (0.36) CEL
SCHEMBL31498318 0.71 HTR1A (0.34) HTR1AHTR7TAS1R3TAS1R1TAS1R2
SCHEMBL4035804 0.69 CYP2A6 (0.36)
SCHEMBL30477217 0.69 CYP2A6 (0.36)

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 2787/4885PRCP 3705/4885

“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.