SCHEMBL5953662

SCHEMBL5953662

CCC1=Cc2cccc(C3CCCCC3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
HTR7 P34969 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
PTGS2 P35354 1/20 0.32
DRD3 P35462 2/20 0.30
HTR6 P50406 1/20 0.30
CEL P19835 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL5953542 0.88 HTR1D (0.36) HTR1AHTR7PTGDR2HTR1DHTR1B
SCHEMBL5953865 0.80 HTR1A (0.40) HTR1AHTR7PTGDR2HTR1DHTR1B
SCHEMBL5953649 0.76 HTR1A (0.38) HTR1AHTR7PTGDR2HTR1DHTR1B
SCHEMBL16393523 0.70 NOTUM (0.36) HTR1AHTR7HTR6
SCHEMBL5954155 0.70 ADRA2A (0.33) ADRA2ACYP2D6ADRA1AACHE
SCHEMBL5953670 0.68 HTR2A (0.33) HTR1ADRD3ADRA2ACYP2D6CYP2C9
SCHEMBL5821254 0.66 PTGDR2 (0.46) PTGDR2HTR1DHTR1BPTGS2CEL
SCHEMBL5953581 0.66 BCHE (0.36) CELACHE
SCHEMBL16555137 0.66 HTR1A (0.39) HTR1AHTR7PTGDR2HTR1DHTR1B
SCHEMBL11205492 0.66 PTGDR2 (0.40) HTR1AHTR7PTGDR2HTR1DHTR1B

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 4 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
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN 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 2787/4885PTGDR2 1991/4885

“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.