SCHEMBL5953680

SCHEMBL5953680

CCC1=Cc2cc(Cl)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 1/20 0.34
HTR2A P28223 8/20 0.33
HTR2C P28335 8/20 0.33
HTR2B P41595 6/20 0.33
MAP3K14 Q99558 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
METAP1 P53582 1/20 0.33
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
ACHE P22303 1/20 0.31
PNMT P11086 1/20 0.31
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CNR1 P21554 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
SCHEMBL5953999 0.86 DRD2 (0.40) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL5953678 0.85 MCHR1 (0.33) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL5954085 0.83 DRD2 (0.38) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL25907202 0.78 DRD2 (0.40) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL2964680 0.78 TRPA1 (0.39) HTR2AHTR2CHTR2BCMA1AHR
SCHEMBL5954069 0.75 DRD2 (0.48) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL28752259 0.73 DRD2 (0.39) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL1539683 0.72 ACHE (0.53) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL5953873 0.71 MCHR1 (0.32) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL27440472 0.71 ACHE (0.51) DRD2DRD4DRD3HTR2AHTR2C

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 8 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 claimed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN claimed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP claimed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO claimed
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 DRD2 3715/4885DRD4 2212/4885DRD3 3596/4885

“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.